(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine

C12H22N2 — CID 130179315

IUPAC(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine
SMILESC/C=C\C(=N/C)\C(=C/N(C)C)C(C)C
InChIInChI=1S/C12H22N2/c1-7-8-12(13-4)11(10(2)3)9-14(5)6/h7-10H,1-6H3/b8-7-,11-9-,13-12+
InChIKeyYQAPQWKKFQVILJ-BKDJHKDISA-N
MW194.32 g/mol
LogP2.73
Rot. Bonds4

About (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine

(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine (PubChem CID 130179315) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine
PubChem CID130179315
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine
SMILESC/C=C\C(=N/C)\C(=C/N(C)C)C(C)C
InChIInChI=1S/C12H22N2/c1-7-8-12(13-4)11(10(2)3)9-14(5)6/h7-10H,1-6H3/b8-7-,11-9-,13-12+
InChIKeyYQAPQWKKFQVILJ-BKDJHKDISA-N
XLogP2.73
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
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 (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine?
The IUPAC name of (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine (CID 130179315) is (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine.
What is the SMILES notation for (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine?
The canonical SMILES for (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine is C/C=C\C(=N/C)\C(=C/N(C)C)C(C)C.
What is the InChIKey of (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine?
The InChIKey is YQAPQWKKFQVILJ-BKDJHKDISA-N. The full InChI is InChI=1S/C12H22N2/c1-7-8-12(13-4)11(10(2)3)9-14(5)6/h7-10H,1-6H3/b8-7-,11-9-,13-12+.
What are the key properties of (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine?
(1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-N,N-dimethyl-3-methylimino-2-propan-2-ylhexa-1,4-dien-1-amine is sourced from PubChem (CID 130179315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).