3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine

C22H44N2 — CID 126656903

IUPAC3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine
SMILESC=C(NC(CCCC)C(=C)C(C)(C)C)C(C(C)C)N(C)C(C)(C)C
InChIInChI=1S/C22H44N2/c1-13-14-15-19(17(4)21(6,7)8)23-18(5)20(16(2)3)24(12)22(9,10)11/h16,19-20,23H,4-5,13-15H2,1-3,6-12H3
InChIKeyKQTDIXOMDXNFJF-UHFFFAOYSA-N
MW336.61 g/mol
LogP6.01
Rot. Bonds9

About 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine

3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine (PubChem CID 126656903) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine
PubChem CID126656903
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Name3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine
SMILESC=C(NC(CCCC)C(=C)C(C)(C)C)C(C(C)C)N(C)C(C)(C)C
InChIInChI=1S/C22H44N2/c1-13-14-15-19(17(4)21(6,7)8)23-18(5)20(16(2)3)24(12)22(9,10)11/h16,19-20,23H,4-5,13-15H2,1-3,6-12H3
InChIKeyKQTDIXOMDXNFJF-UHFFFAOYSA-N
XLogP6.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 132222077
3-N-tert-butyl-2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 134403276
N-[1-[2-(3-amino-2-methylpropyl)-1-(ethylamino)cyclopropyl]ethenyl]-2,2,4-trimethyl-8-propan-2-ylcyclononan-1-amine
CID 90775512
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
1-N-methyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126538746
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine
CID 126704532
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
5-N-[3-[tert-butyl(methyl)amino]pent-1-en-2-yl]-7,7-dimethyl-6-methylideneoctane-1,5-diamine
CID 129103728

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine?
The IUPAC name of 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine (CID 126656903) is 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine.
What is the SMILES notation for 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine?
The canonical SMILES for 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine is C=C(NC(CCCC)C(=C)C(C)(C)C)C(C(C)C)N(C)C(C)(C)C.
What is the InChIKey of 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine?
The InChIKey is KQTDIXOMDXNFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2/c1-13-14-15-19(17(4)21(6,7)8)23-18(5)20(16(2)3)24(12)22(9,10)11/h16,19-20,23H,4-5,13-15H2,1-3,6-12H3.
What are the key properties of 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine?
3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine has a molecular weight of 336.61 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-2-N-(2,2-dimethyl-3-methylideneoctan-4-yl)-3-N,4-dimethylpent-1-ene-2,3-diamine is sourced from PubChem (CID 126656903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).