N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine

C12H18N2 — CID 176522672

IUPACN-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine
SMILESCC(C)CNC(=C=N)C1=CC=CCC1
InChIInChI=1S/C12H18N2/c1-10(2)9-14-12(8-13)11-6-4-3-5-7-11/h3-4,6,10,13-14H,5,7,9H2,1-2H3
InChIKeyVNFKPYZUCSGONY-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.64
Rot. Bonds4

About N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine

N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine (PubChem CID 176522672) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine
PubChem CID176522672
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine
SMILESCC(C)CNC(=C=N)C1=CC=CCC1
InChIInChI=1S/C12H18N2/c1-10(2)9-14-12(8-13)11-6-4-3-5-7-11/h3-4,6,10,13-14H,5,7,9H2,1-2H3
InChIKeyVNFKPYZUCSGONY-UHFFFAOYSA-N
XLogP2.64
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-[(Z)-2-fluoroethenyl]-1-N-methylhept-2-ene-1,3-diamine
CID 134493447
(Z)-3-(2-fluoro-6-methyl-1,2-dihydropyridin-5-yl)pent-3-en-1-amine
CID 134604072
(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine
CID 146550620
(3Z)-N-propan-2-yl-3-prop-2-enylidenecyclohexen-1-amine
CID 134948808
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine
CID 44398246
3,6-Dimethylidene-4-propan-2-yl-1,2-dihydropyridine
CID 22959176
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
N-(1-cyclohexa-1,3-dien-1-ylethyl)propan-1-amine
CID 66613027
1-cyclohexa-1,3-dien-1-yl-N-ethylethanamine
CID 67892069
N-ethyl-2-methyl-6-methylidenecyclohexen-1-amine
CID 68375539
2-methyl-2,5,6,7,8,9-hexahydro-1H-pyrido[2,3-d]azepine
CID 69188077
2,3,4,8-tetrahydro-1H-3-benzazepin-9-amine
CID 69547127

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine (CID 176522672) is N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine is CC(C)CNC(=C=N)C1=CC=CCC1.
What is the InChIKey of N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine?
The InChIKey is VNFKPYZUCSGONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-10(2)9-14-12(8-13)11-6-4-3-5-7-11/h3-4,6,10,13-14H,5,7,9H2,1-2H3.
What are the key properties of N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine?
N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-1,3-dien-1-yl-2-iminoethenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 176522672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).