1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine

C9H14N2 — CID 91298887

IUPAC1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine
SMILES[H]/N=C(\C)C(N)C1=CCCC=C1
InChIInChI=1S/C9H14N2/c1-7(10)9(11)8-5-3-2-4-6-8/h3,5-6,9-10H,2,4,11H2,1H3/b10-7+
InChIKeySCJMLFRZLDAEBG-JXMROGBWSA-N
MW150.22 g/mol
LogP1.63
Rot. Bonds2

About 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine

1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine (PubChem CID 91298887) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine
PubChem CID91298887
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine
SMILES[H]/N=C(\C)C(N)C1=CCCC=C1
InChIInChI=1S/C9H14N2/c1-7(10)9(11)8-5-3-2-4-6-8/h3,5-6,9-10H,2,4,11H2,1H3/b10-7+
InChIKeySCJMLFRZLDAEBG-JXMROGBWSA-N
XLogP1.63
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.63
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

CID 17753774
CID 17753774
4-Diazo-2,3-dimethylcyclohexa-2,5-dien-1-amine
CID 18183674
4-Diazo-2,3-diethylcyclohexa-2,5-dien-1-amine
CID 20209398
2-Methyl-6-methylidenecyclohexa-2,4-dien-1-amine
CID 23644178
7-Methyl-1,7a-dihydro-2,1,3-benzothiadiazole
CID 59715876
2-[(E)-but-2-enimidoyl]cyclohexa-2,4-dien-1-amine
CID 88976714
(2R,3E)-1-imino-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
CID 89074092
6-Imino-2,5-dimethylcyclohexa-2,4-dien-1-amine
CID 89331862
8-Iminonona-3,5-dien-2-amine
CID 90857903
3-Ethylcyclohexa-3,5-diene-1,2-diimine
CID 91355872
6-Iminocyclohexa-2,4-dien-1-amine
CID 102383572
2-Cyclohexa-1,5-dien-1-yl-2-iminoethanamine
CID 118176547

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine (CID 91298887) is 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine is [H]/N=C(\C)C(N)C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine?
The InChIKey is SCJMLFRZLDAEBG-JXMROGBWSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(10)9(11)8-5-3-2-4-6-8/h3,5-6,9-10H,2,4,11H2,1H3/b10-7+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine?
1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine has a molecular weight of 150.22 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-iminopropan-1-amine is sourced from PubChem (CID 91298887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).