(Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine

C9H18N2 — CID 170617816

IUPAC(Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine
SMILESC/N=C(C(/C)=C(/C)N)\C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)9(11-5)7(3)8(4)10/h6H,10H2,1-5H3/b8-7-,11-9+
InChIKeyLCNMLQSHSPVVIT-NSXXKTIASA-N
MW154.26 g/mol
LogP1.97
Rot. Bonds2

About (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine

(Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine (PubChem CID 170617816) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine.

Molecular Properties

Compound Name(Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine
PubChem CID170617816
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine
SMILESC/N=C(C(/C)=C(/C)N)\C(C)C
InChIInChI=1S/C9H18N2/c1-6(2)9(11-5)7(3)8(4)10/h6H,10H2,1-5H3/b8-7-,11-9+
InChIKeyLCNMLQSHSPVVIT-NSXXKTIASA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
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)-3,5-dimethyl-4-methyliminohex-2-en-2-amine?
The IUPAC name of (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine (CID 170617816) is (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine.
What is the SMILES notation for (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine?
The canonical SMILES for (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine is C/N=C(C(/C)=C(/C)N)\C(C)C.
What is the InChIKey of (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine?
The InChIKey is LCNMLQSHSPVVIT-NSXXKTIASA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)9(11-5)7(3)8(4)10/h6H,10H2,1-5H3/b8-7-,11-9+.
What are the key properties of (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine?
(Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,5-dimethyl-4-methyliminohex-2-en-2-amine is sourced from PubChem (CID 170617816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).