(Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine

C13H29N3 — CID 167300722

IUPAC(Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine
SMILESCCC(C)CN(N)/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C13H29N3/c1-7-11(6)8-16(15)13(10(4)5)12(14)9(2)3/h9-11H,7-8,14-15H2,1-6H3/b13-12-
InChIKeyYAFUOJQIBSHZGH-SEYXRHQNSA-N
MW227.40 g/mol
LogP2.69
Rot. Bonds6

About (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine

(Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine (PubChem CID 167300722) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine
PubChem CID167300722
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name(Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine
SMILESCCC(C)CN(N)/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C13H29N3/c1-7-11(6)8-16(15)13(10(4)5)12(14)9(2)3/h9-11H,7-8,14-15H2,1-6H3/b13-12-
InChIKeyYAFUOJQIBSHZGH-SEYXRHQNSA-N
XLogP2.69
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 52.69
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)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine?
The IUPAC name of (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine (CID 167300722) is (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine.
What is the SMILES notation for (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine?
The canonical SMILES for (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine is CCC(C)CN(N)/C(=C(\N)C(C)C)C(C)C.
What is the InChIKey of (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine?
The InChIKey is YAFUOJQIBSHZGH-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H29N3/c1-7-11(6)8-16(15)13(10(4)5)12(14)9(2)3/h9-11H,7-8,14-15H2,1-6H3/b13-12-.
What are the key properties of (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine?
(Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine has a molecular weight of 227.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(2-methylbutyl)amino]-2,5-dimethylhex-3-en-3-amine is sourced from PubChem (CID 167300722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).