(3,5-dimethylcyclohex-3-en-1-yl)methanamine

C9H17N — CID 103275915

IUPAC(3,5-dimethylcyclohex-3-en-1-yl)methanamine
SMILESCC1=CC(C)CC(CN)C1
InChIInChI=1S/C9H17N/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9H,4-6,10H2,1-2H3
InChIKeyVNVNDMPDNGFIBP-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.94
Rot. Bonds1

About (3,5-dimethylcyclohex-3-en-1-yl)methanamine

(3,5-dimethylcyclohex-3-en-1-yl)methanamine (PubChem CID 103275915) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (3,5-dimethylcyclohex-3-en-1-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylcyclohex-3-en-1-yl)methanamine
PubChem CID103275915
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(3,5-dimethylcyclohex-3-en-1-yl)methanamine
SMILESCC1=CC(C)CC(CN)C1
InChIInChI=1S/C9H17N/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9H,4-6,10H2,1-2H3
InChIKeyVNVNDMPDNGFIBP-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
(3S)-1,3-dimethylcyclobutene
CID 58737300
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
ethyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetate
CID 103276524
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]oxyacetamide
CID 103277030
3-amino-1-(3,5-dimethylcyclohex-3-en-1-yl)propan-1-ol
CID 103277877
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)methanamine?
The IUPAC name of (3,5-dimethylcyclohex-3-en-1-yl)methanamine (CID 103275915) is (3,5-dimethylcyclohex-3-en-1-yl)methanamine.
What is the SMILES notation for (3,5-dimethylcyclohex-3-en-1-yl)methanamine?
The canonical SMILES for (3,5-dimethylcyclohex-3-en-1-yl)methanamine is CC1=CC(C)CC(CN)C1.
What is the InChIKey of (3,5-dimethylcyclohex-3-en-1-yl)methanamine?
The InChIKey is VNVNDMPDNGFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9H,4-6,10H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohex-3-en-1-yl)methanamine?
(3,5-dimethylcyclohex-3-en-1-yl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohex-3-en-1-yl)methanamine is sourced from PubChem (CID 103275915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).