(E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine

C20H38N2 — CID 170275071

IUPAC(E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine
SMILESC=CC(N/C(=C/CC)C(CCCC(C)C)NC(=C)C)C(C)C
InChIInChI=1S/C20H38N2/c1-9-12-19(22-18(10-2)16(5)6)20(21-17(7)8)14-11-13-15(3)4/h10,12,15-16,18,20-22H,2,7,9,11,13-14H2,1,3-6,8H3/b19-12+
InChIKeyZQSQALCSWBPNQY-XDHOZWIPSA-N
MW306.54 g/mol
LogP5.40
Rot. Bonds12

About (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine

(E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine (PubChem CID 170275071) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine.

Molecular Properties

Compound Name(E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine
PubChem CID170275071
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name(E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine
SMILESC=CC(N/C(=C/CC)C(CCCC(C)C)NC(=C)C)C(C)C
InChIInChI=1S/C20H38N2/c1-9-12-19(22-18(10-2)16(5)6)20(21-17(7)8)14-11-13-15(3)4/h10,12,15-16,18,20-22H,2,7,9,11,13-14H2,1,3-6,8H3/b19-12+
InChIKeyZQSQALCSWBPNQY-XDHOZWIPSA-N
XLogP5.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,7-trimethyloct-1-ene
CID 123245102
(3E)-N,5-dimethylnona-3,8-dien-4-amine
CID 138564764
(Z)-5-butan-2-yl-10-methyl-N-propan-2-ylundec-3-en-4-amine
CID 129045736
(E)-4,8-dimethylnon-3-ene
CID 22743489
4,9-dimethyldec-3-ene
CID 91170380
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
N,2,6-trimethylhept-1-en-3-amine
CID 79190078
4-methylpent-1-en-3-ylcarbamic acid
CID 87278563
2-amino-3-methyl-N-(4-methylpent-1-en-3-yl)but-3-enamide
CID 177367751
(Z)-N,2-dimethylhex-3-en-3-amine
CID 170980731
3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
2,3,5-trimethylocta-1,5-diene
CID 123730712

Frequently Asked Questions

What is the IUPAC name of (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine?
The IUPAC name of (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine (CID 170275071) is (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine.
What is the SMILES notation for (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine?
The canonical SMILES for (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine is C=CC(N/C(=C/CC)C(CCCC(C)C)NC(=C)C)C(C)C.
What is the InChIKey of (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine?
The InChIKey is ZQSQALCSWBPNQY-XDHOZWIPSA-N. The full InChI is InChI=1S/C20H38N2/c1-9-12-19(22-18(10-2)16(5)6)20(21-17(7)8)14-11-13-15(3)4/h10,12,15-16,18,20-22H,2,7,9,11,13-14H2,1,3-6,8H3/b19-12+.
What are the key properties of (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine?
(E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine has a molecular weight of 306.54 g/mol, XLogP of 5.40, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-methyl-4-N-(4-methylpent-1-en-3-yl)-5-N-prop-1-en-2-yldec-3-ene-4,5-diamine is sourced from PubChem (CID 170275071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).