(Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine

C13H29N3 — CID 171532237

IUPAC(Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine
SMILESCC(C)CCCCN(N)/C=C(\N)CC(C)C
InChIInChI=1S/C13H29N3/c1-11(2)7-5-6-8-16(15)10-13(14)9-12(3)4/h10-12H,5-9,14-15H2,1-4H3/b13-10-
InChIKeyWZHDFRCQGJBCPN-RAXLEYEMSA-N
MW227.40 g/mol
LogP2.83
Rot. Bonds8

About (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine

(Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine (PubChem CID 171532237) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine
PubChem CID171532237
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name(Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine
SMILESCC(C)CCCCN(N)/C=C(\N)CC(C)C
InChIInChI=1S/C13H29N3/c1-11(2)7-5-6-8-16(15)10-13(14)9-12(3)4/h10-12H,5-9,14-15H2,1-4H3/b13-10-
InChIKeyWZHDFRCQGJBCPN-RAXLEYEMSA-N
XLogP2.83
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine (CID 171532237) is (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine is CC(C)CCCCN(N)/C=C(\N)CC(C)C.
What is the InChIKey of (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine?
The InChIKey is WZHDFRCQGJBCPN-RAXLEYEMSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(2)7-5-6-8-16(15)10-13(14)9-12(3)4/h10-12H,5-9,14-15H2,1-4H3/b13-10-.
What are the key properties of (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine?
(Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine has a molecular weight of 227.40 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(5-methylhexyl)amino]-4-methylpent-1-en-2-amine is sourced from PubChem (CID 171532237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).