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

C12H27N3 — CID 167299721

IUPAC(Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine
SMILESCC(C)CN(N)/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C12H27N3/c1-8(2)7-15(14)12(10(5)6)11(13)9(3)4/h8-10H,7,13-14H2,1-6H3/b12-11-
InChIKeyLFSXSQSUUOSRKS-QXMHVHEDSA-N
MW213.37 g/mol
LogP2.30
Rot. Bonds5

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

(Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine (PubChem CID 167299721) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine.

Molecular Properties

Compound Name(Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine
PubChem CID167299721
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name(Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine
SMILESCC(C)CN(N)/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C12H27N3/c1-8(2)7-15(14)12(10(5)6)11(13)9(3)4/h8-10H,7,13-14H2,1-6H3/b12-11-
InChIKeyLFSXSQSUUOSRKS-QXMHVHEDSA-N
XLogP2.30
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.30
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-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine?
The IUPAC name of (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine (CID 167299721) is (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine.
What is the SMILES notation for (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine?
The canonical SMILES for (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine is CC(C)CN(N)/C(=C(\N)C(C)C)C(C)C.
What is the InChIKey of (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine?
The InChIKey is LFSXSQSUUOSRKS-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H27N3/c1-8(2)7-15(14)12(10(5)6)11(13)9(3)4/h8-10H,7,13-14H2,1-6H3/b12-11-.
What are the key properties of (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine?
(Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine has a molecular weight of 213.37 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[amino(2-methylpropyl)amino]-2,5-dimethylhex-3-en-3-amine is sourced from PubChem (CID 167299721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).