(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine

C9H18N2 — CID 143962809

IUPAC(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine
SMILES[H]/N=C(C(\C)=C(\C)N)/C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6(7(2)10)8(11)9(3,4)5/h11H,10H2,1-5H3/b7-6-,11-8+
InChIKeyCNGOSVNINOFYJY-BQGCWICQSA-N
MW154.26 g/mol
LogP2.30
Rot. Bonds1

About (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine

(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine (PubChem CID 143962809) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine
PubChem CID143962809
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine
SMILES[H]/N=C(C(\C)=C(\C)N)/C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6(7(2)10)8(11)9(3,4)5/h11H,10H2,1-5H3/b7-6-,11-8+
InChIKeyCNGOSVNINOFYJY-BQGCWICQSA-N
XLogP2.30
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine?
The IUPAC name of (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine (CID 143962809) is (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine.
What is the SMILES notation for (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine?
The canonical SMILES for (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine is [H]/N=C(C(\C)=C(\C)N)/C(C)(C)C.
What is the InChIKey of (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine?
The InChIKey is CNGOSVNINOFYJY-BQGCWICQSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(7(2)10)8(11)9(3,4)5/h11H,10H2,1-5H3/b7-6-,11-8+.
What are the key properties of (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine?
(Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-3,5,5-trimethylhex-2-en-2-amine is sourced from PubChem (CID 143962809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).