(Z)-5-[amino(methyl)amino]oct-4-en-4-amine

C9H21N3 — CID 167025825

IUPAC(Z)-5-[amino(methyl)amino]oct-4-en-4-amine
SMILESCCC/C(N)=C(\CCC)N(C)N
InChIInChI=1S/C9H21N3/c1-4-6-8(10)9(7-5-2)12(3)11/h4-7,10-11H2,1-3H3/b9-8-
InChIKeyOBYJJBBVEPUJJK-HJWRWDBZSA-N
MW171.29 g/mol
LogP1.56
Rot. Bonds5

About (Z)-5-[amino(methyl)amino]oct-4-en-4-amine

(Z)-5-[amino(methyl)amino]oct-4-en-4-amine (PubChem CID 167025825) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (Z)-5-[amino(methyl)amino]oct-4-en-4-amine.

Molecular Properties

Compound Name(Z)-5-[amino(methyl)amino]oct-4-en-4-amine
PubChem CID167025825
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(Z)-5-[amino(methyl)amino]oct-4-en-4-amine
SMILESCCC/C(N)=C(\CCC)N(C)N
InChIInChI=1S/C9H21N3/c1-4-6-8(10)9(7-5-2)12(3)11/h4-7,10-11H2,1-3H3/b9-8-
InChIKeyOBYJJBBVEPUJJK-HJWRWDBZSA-N
XLogP1.56
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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)-5-[amino(methyl)amino]oct-4-en-4-amine?
The IUPAC name of (Z)-5-[amino(methyl)amino]oct-4-en-4-amine (CID 167025825) is (Z)-5-[amino(methyl)amino]oct-4-en-4-amine.
What is the SMILES notation for (Z)-5-[amino(methyl)amino]oct-4-en-4-amine?
The canonical SMILES for (Z)-5-[amino(methyl)amino]oct-4-en-4-amine is CCC/C(N)=C(\CCC)N(C)N.
What is the InChIKey of (Z)-5-[amino(methyl)amino]oct-4-en-4-amine?
The InChIKey is OBYJJBBVEPUJJK-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-6-8(10)9(7-5-2)12(3)11/h4-7,10-11H2,1-3H3/b9-8-.
What are the key properties of (Z)-5-[amino(methyl)amino]oct-4-en-4-amine?
(Z)-5-[amino(methyl)amino]oct-4-en-4-amine has a molecular weight of 171.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-[amino(methyl)amino]oct-4-en-4-amine is sourced from PubChem (CID 167025825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).