(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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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).