N,N,1-trimethylcyclohex-3-en-1-amine

C9H17N — CID 151783099

IUPACN,N,1-trimethylcyclohex-3-en-1-amine
SMILESCN(C)C1(C)CC=CCC1
InChIInChI=1S/C9H17N/c1-9(10(2)3)7-5-4-6-8-9/h4-5H,6-8H2,1-3H3
InChIKeyRVAOXICNOMIFMV-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds1

About N,N,1-trimethylcyclohex-3-en-1-amine

N,N,1-trimethylcyclohex-3-en-1-amine (PubChem CID 151783099) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N,1-trimethylcyclohex-3-en-1-amine.

Molecular Properties

Compound NameN,N,1-trimethylcyclohex-3-en-1-amine
PubChem CID151783099
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N,1-trimethylcyclohex-3-en-1-amine
SMILESCN(C)C1(C)CC=CCC1
InChIInChI=1S/C9H17N/c1-9(10(2)3)7-5-4-6-8-9/h4-5H,6-8H2,1-3H3
InChIKeyRVAOXICNOMIFMV-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-4-methylcyclohexene
CID 14144779
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CID 143371902
spiro[4.6]undeca-2,8-diene
CID 123157263
2,5-dimethyl-1-(1-methylcyclohex-3-en-1-yl)pyrrole
CID 131198085
2-methyl-2-(1-methylcyclohex-3-en-1-yl)-1,3-dioxolane
CID 134993895
10,10-dimethylspiro[5.5]undec-3-ene
CID 141056322
N-(cyclopropylmethyl)-1-methylcyclohex-3-en-1-amine
CID 130871052
(5E,9E)-3,3,12,12-tetramethyl-1,2-diazacyclododeca-1,5,9-triene
CID 22787987
5,5-difluorocycloheptene;ethane
CID 178087768
(2S,5S)-2-tert-butyl-2-methyl-1,3-dioxaspiro[4.5]dec-7-en-4-one
CID 11172131
N,N,4-trimethylpiperidin-4-amine;dihydrochloride
CID 57481577

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethylcyclohex-3-en-1-amine?
The IUPAC name of N,N,1-trimethylcyclohex-3-en-1-amine (CID 151783099) is N,N,1-trimethylcyclohex-3-en-1-amine.
What is the SMILES notation for N,N,1-trimethylcyclohex-3-en-1-amine?
The canonical SMILES for N,N,1-trimethylcyclohex-3-en-1-amine is CN(C)C1(C)CC=CCC1.
What is the InChIKey of N,N,1-trimethylcyclohex-3-en-1-amine?
The InChIKey is RVAOXICNOMIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(10(2)3)7-5-4-6-8-9/h4-5H,6-8H2,1-3H3.
What are the key properties of N,N,1-trimethylcyclohex-3-en-1-amine?
N,N,1-trimethylcyclohex-3-en-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethylcyclohex-3-en-1-amine is sourced from PubChem (CID 151783099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).