4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene

C50H98N2 — CID 143357063

IUPAC4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=C)C(C)CC1CCC1.C=C(C)C(C)C(CCC)C(C)(C)C.C=C(NC(CC)C(C)C)NC(C(=C)C)C(C)(C)C.CCC(C)C
InChIInChI=1S/C16H32N2.C13H26.C12H20.C5H12.C4H8/c1-10-14(11(2)3)17-13(6)18-15(12(4)5)16(7,8)9;1-8-9-12(13(5,6)7)11(4)10(2)3;1-9(2)11(4)10(3)8-12-6-5-7-12;1-4-5(2)3;1-4(2)3/h11,14-15,17-18H,4,6,10H2,1-3,5,7-9H3;11-12H,2,8-9H2,1,3-7H3;10,12H,1,4-8H2,2-3H3;5H,4H2,1-3H3;1H2,2-3H3
InChIKeyQIGDYJGCFXXHQD-UHFFFAOYSA-N
MW727.35 g/mol
LogP16.30
Rot. Bonds16

About 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene

4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene (PubChem CID 143357063) has the molecular formula C50H98N2 and a molecular weight of 727.35 g/mol. Its IUPAC name is 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene.

Molecular Properties

Compound Name4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene
PubChem CID143357063
Molecular FormulaC50H98N2
Molecular Weight727.35 g/mol
Exact Mass726.77
IUPAC Name4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene
SMILESC=C(C)C.C=C(C)C(=C)C(C)CC1CCC1.C=C(C)C(C)C(CCC)C(C)(C)C.C=C(NC(CC)C(C)C)NC(C(=C)C)C(C)(C)C.CCC(C)C
InChIInChI=1S/C16H32N2.C13H26.C12H20.C5H12.C4H8/c1-10-14(11(2)3)17-13(6)18-15(12(4)5)16(7,8)9;1-8-9-12(13(5,6)7)11(4)10(2)3;1-9(2)11(4)10(3)8-12-6-5-7-12;1-4-5(2)3;1-4(2)3/h11,14-15,17-18H,4,6,10H2,1-3,5,7-9H3;11-12H,2,8-9H2,1,3-7H3;10,12H,1,4-8H2,2-3H3;5H,4H2,1-3H3;1H2,2-3H3
InChIKeyQIGDYJGCFXXHQD-UHFFFAOYSA-N
XLogP16.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.35
LogP ≤ 516.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene?
The IUPAC name of 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene (CID 143357063) is 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene.
What is the SMILES notation for 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene?
The canonical SMILES for 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene is C=C(C)C.C=C(C)C(=C)C(C)CC1CCC1.C=C(C)C(C)C(CCC)C(C)(C)C.C=C(NC(CC)C(C)C)NC(C(=C)C)C(C)(C)C.CCC(C)C.
What is the InChIKey of 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene?
The InChIKey is QIGDYJGCFXXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2.C13H26.C12H20.C5H12.C4H8/c1-10-14(11(2)3)17-13(6)18-15(12(4)5)16(7,8)9;1-8-9-12(13(5,6)7)11(4)10(2)3;1-9(2)11(4)10(3)8-12-6-5-7-12;1-4-5(2)3;1-4(2)3/h11,14-15,17-18H,4,6,10H2,1-3,5,7-9H3;11-12H,2,8-9H2,1,3-7H3;10,12H,1,4-8H2,2-3H3;5H,4H2,1-3H3;1H2,2-3H3.
What are the key properties of 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene?
4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene has a molecular weight of 727.35 g/mol, XLogP of 16.30, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,3-dimethylhept-1-ene;(2,4-dimethyl-3-methylidenepent-4-enyl)cyclobutane;2-methylbutane;1-N-(2-methylpentan-3-yl)-1-N'-(2,4,4-trimethylpent-1-en-3-yl)ethene-1,1-diamine;2-methylprop-1-ene is sourced from PubChem (CID 143357063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).