4-imino-2,5-dimethylcyclohex-2-en-1-amine

C8H14N2 — CID 123524045

IUPAC4-imino-2,5-dimethylcyclohex-2-en-1-amine
SMILES[H]/N=C1\C=C(C)C(N)CC1C
InChIInChI=1S/C8H14N2/c1-5-3-8(10)6(2)4-7(5)9/h3,6-7,10H,4,9H2,1-2H3/b10-8+
InChIKeyKLYIXRCKDOQXRM-CSKARUKUSA-N
MW138.21 g/mol
LogP1.32
Rot. Bonds

About 4-imino-2,5-dimethylcyclohex-2-en-1-amine

4-imino-2,5-dimethylcyclohex-2-en-1-amine (PubChem CID 123524045) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-imino-2,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-imino-2,5-dimethylcyclohex-2-en-1-amine
PubChem CID123524045
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-imino-2,5-dimethylcyclohex-2-en-1-amine
SMILES[H]/N=C1\C=C(C)C(N)CC1C
InChIInChI=1S/C8H14N2/c1-5-3-8(10)6(2)4-7(5)9/h3,6-7,10H,4,9H2,1-2H3/b10-8+
InChIKeyKLYIXRCKDOQXRM-CSKARUKUSA-N
XLogP1.32
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.32
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

N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
5-Fluoro-2-imino-6-methylcyclohex-3-en-1-amine
CID 91117964
N,N,1,5,5,6-hexadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 168355301
6-Imino-8-methyl-5-(2-methylpropylidene)nonan-1-amine
CID 53951183
(5R)-3,5-dimethylcyclohex-2-en-1-amine
CID 89125931
2-Imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine
CID 89153800
2,5-Dimethylcyclohex-2-ene-1,4-diamine
CID 89510271
2-Imino-4-methylcyclohex-3-en-1-amine
CID 91018476
(1R,5R)-3,5-dimethylcyclohex-2-en-1-amine
CID 118531752
4-Imino-5,6-dimethylcyclohex-2-en-1-amine
CID 123143860
1-(5-Imino-6-methylcyclohex-3-en-1-yl)ethanamine
CID 123217836
2-(2-Iminocyclopent-3-en-1-yl)cyclopenta-2,4-dien-1-amine
CID 123264569

Frequently Asked Questions

What is the IUPAC name of 4-imino-2,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 4-imino-2,5-dimethylcyclohex-2-en-1-amine (CID 123524045) is 4-imino-2,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 4-imino-2,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 4-imino-2,5-dimethylcyclohex-2-en-1-amine is [H]/N=C1\C=C(C)C(N)CC1C.
What is the InChIKey of 4-imino-2,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is KLYIXRCKDOQXRM-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-3-8(10)6(2)4-7(5)9/h3,6-7,10H,4,9H2,1-2H3/b10-8+.
What are the key properties of 4-imino-2,5-dimethylcyclohex-2-en-1-amine?
4-imino-2,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 123524045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).