1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine

C20H38N2 — CID 135142066

IUPAC1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine
SMILESC=CN(CCCCCC(=C)NC(C)C(C)C)C(=C)C(C)CC
InChIInChI=1S/C20H38N2/c1-9-17(5)20(8)22(10-2)15-13-11-12-14-18(6)21-19(7)16(3)4/h10,16-17,19,21H,2,6,8-9,11-15H2,1,3-5,7H3
InChIKeyISBPWEZUUQTFQP-UHFFFAOYSA-N
MW306.54 g/mol
LogP5.70
Rot. Bonds13

About 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine

1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine (PubChem CID 135142066) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine.

Molecular Properties

Compound Name1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine
PubChem CID135142066
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine
SMILESC=CN(CCCCCC(=C)NC(C)C(C)C)C(=C)C(C)CC
InChIInChI=1S/C20H38N2/c1-9-17(5)20(8)22(10-2)15-13-11-12-14-18(6)21-19(7)16(3)4/h10,16-17,19,21H,2,6,8-9,11-15H2,1,3-5,7H3
InChIKeyISBPWEZUUQTFQP-UHFFFAOYSA-N
XLogP5.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine?
The IUPAC name of 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine (CID 135142066) is 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine.
What is the SMILES notation for 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine?
The canonical SMILES for 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine is C=CN(CCCCCC(=C)NC(C)C(C)C)C(=C)C(C)CC.
What is the InChIKey of 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine?
The InChIKey is ISBPWEZUUQTFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-9-17(5)20(8)22(10-2)15-13-11-12-14-18(6)21-19(7)16(3)4/h10,16-17,19,21H,2,6,8-9,11-15H2,1,3-5,7H3.
What are the key properties of 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine?
1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine has a molecular weight of 306.54 g/mol, XLogP of 5.70, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenyl-6-N-(3-methylbutan-2-yl)-1-N-(3-methylpent-1-en-2-yl)hept-6-ene-1,6-diamine is sourced from PubChem (CID 135142066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).