3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine

C11H18N2 — CID 144627063

IUPAC3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine
SMILES[H]/N=C(\CCN(C)C)C1=CCCC=C1
InChIInChI=1S/C11H18N2/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h4,6-7,12H,3,5,8-9H2,1-2H3/b12-11+
InChIKeyJSCZHWGFVSZJBO-VAWYXSNFSA-N
MW178.28 g/mol
LogP2.23
Rot. Bonds4

About 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine

3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine (PubChem CID 144627063) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine
PubChem CID144627063
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine
SMILES[H]/N=C(\CCN(C)C)C1=CCCC=C1
InChIInChI=1S/C11H18N2/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h4,6-7,12H,3,5,8-9H2,1-2H3/b12-11+
InChIKeyJSCZHWGFVSZJBO-VAWYXSNFSA-N
XLogP2.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-3-[[(4Z)-6-methylhepta-4,6-dien-3-ylidene]amino]pentan-1-amine
CID 123264969
N-ethyl-4-imino-N-propan-2-ylcyclohex-2-en-1-amine
CID 123368874
(3Z)-N,1-dimethyl-3-prop-2-enylidenepiperidin-4-imine
CID 123418614
4-(5-ethenyl-4-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-imine
CID 123446877
N-[[(1Z)-8-iminocycloocta-1,3-dien-1-yl]methyl]-N-methylbutan-1-amine
CID 123494969
N,2-dimethyl-N-[1-(3-propanimidoylcyclopenta-2,4-dien-1-yl)ethyl]propan-1-amine
CID 123538088
N,N-diethyl-4-[[(2Z,5E)-8-methyl-5-prop-1-en-2-ylnona-2,5,7-trien-4-ylidene]amino]pentan-1-amine
CID 123685297
3-ethenyl-6-imino-N,N-dimethyloct-3-en-2-amine
CID 123750276
(2Z)-2-(piperidin-1-ylmethyl)cycloocta-2,4-dien-1-imine
CID 124006917
N-[(Z)-(6-imino-2-methylcyclohexa-2,4-dien-1-ylidene)methyl]-N-methylethanamine
CID 130225371
(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)-N,N-dimethylmethanamine
CID 130380805
(3Z)-3-ethylidene-1-propan-2-ylpiperidin-4-imine
CID 130413541

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine (CID 144627063) is 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine is [H]/N=C(\CCN(C)C)C1=CCCC=C1.
What is the InChIKey of 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine?
The InChIKey is JSCZHWGFVSZJBO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(2)9-8-11(12)10-6-4-3-5-7-10/h4,6-7,12H,3,5,8-9H2,1-2H3/b12-11+.
What are the key properties of 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine?
3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,5-dien-1-yl-3-imino-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 144627063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).