5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine

C19H38N2 — CID 166731184

IUPAC5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine
SMILESC=C(C)NCCCCC(C(=C)C(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C19H38N2/c1-15(2)20-14-12-11-13-17(16(3)18(4,5)6)21(10)19(7,8)9/h17,20H,1,3,11-14H2,2,4-10H3
InChIKeyVBYRYFPCNVMILC-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.98
Rot. Bonds8

About 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine

5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine (PubChem CID 166731184) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine.

Molecular Properties

Compound Name5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine
PubChem CID166731184
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine
SMILESC=C(C)NCCCCC(C(=C)C(C)(C)C)N(C)C(C)(C)C
InChIInChI=1S/C19H38N2/c1-15(2)20-14-12-11-13-17(16(3)18(4,5)6)21(10)19(7,8)9/h17,20H,1,3,11-14H2,2,4-10H3
InChIKeyVBYRYFPCNVMILC-UHFFFAOYSA-N
XLogP4.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine with MolForge

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Related Compounds

3-N-tert-butyl-2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 134403276
2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
2-N,4,11,11-tetramethyl-8-methylidenetridecane-2,4-diamine
CID 18716552
4,4-diethyl-5-methyl-2-N-(3-methylbut-1-en-2-yl)-3-methylideneheptane-2,5-diamine
CID 121478737
N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine
CID 126510679
5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126537911
3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine
CID 126656903
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
7-methyl-6-methylidene-N-oct-1-en-2-yloctan-1-amine
CID 129055929
1-N-(3,4,4,7,7-pentamethyloct-1-en-2-yl)-3-N-propylbutane-1,3-diamine
CID 129093586
2-N-(2,2-dimethyl-3-methylidenenonan-4-yl)-2-N,3-N-dimethylpent-1-ene-2,3-diamine
CID 129103542
3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 129103619

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine?
The IUPAC name of 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine (CID 166731184) is 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine.
What is the SMILES notation for 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine?
The canonical SMILES for 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine is C=C(C)NCCCCC(C(=C)C(C)(C)C)N(C)C(C)(C)C.
What is the InChIKey of 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine?
The InChIKey is VBYRYFPCNVMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15(2)20-14-12-11-13-17(16(3)18(4,5)6)21(10)19(7,8)9/h17,20H,1,3,11-14H2,2,4-10H3.
What are the key properties of 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine?
5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine has a molecular weight of 294.53 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-5-N,7,7-trimethyl-6-methylidene-1-N-prop-1-en-2-yloctane-1,5-diamine is sourced from PubChem (CID 166731184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).