N,N,4-trimethylcyclohexen-1-amine

C9H17N — CID 14318945

IUPACN,N,4-trimethylcyclohexen-1-amine
SMILESCC1CC=C(N(C)C)CC1
InChIInChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyTYZVXSRSQDSPHN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

About N,N,4-trimethylcyclohexen-1-amine

N,N,4-trimethylcyclohexen-1-amine (PubChem CID 14318945) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,N,4-trimethylcyclohexen-1-amine.

Molecular Properties

Compound NameN,N,4-trimethylcyclohexen-1-amine
PubChem CID14318945
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,N,4-trimethylcyclohexen-1-amine
SMILESCC1CC=C(N(C)C)CC1
InChIInChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h6,8H,4-5,7H2,1-3H3
InChIKeyTYZVXSRSQDSPHN-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dimethyl-1-cyclohexan-1-amine
CID 139609
3-Cyclohexene-1-methylamine, N,N-dimethyl-, hydrochloride
CID 200461
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
Piperidine, 2,3-didehydro-1,2,6,6-tetramethyl-
CID 3047647
Pyridine, 1,4,5,6-tetrahydro-1,2,6,6-tetramethyl-, hydrochloride
CID 3048405
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
CID 118719152
Pyrrolidine, 1-(6-methyl-1-cyclohexen-1-yl)-
CID 11030177
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
1-((r,s)-6-Methyl-cyclohex-1-enyl)-piperidine
CID 15514600
N,N-bis(2-methylpropyl)cyclohexen-1-amine
CID 12319055
N,N,6-trimethylcyclohexen-1-amine
CID 12664021
5-(1,1-difluoroethyl)-N,N-dimethylcyclohexen-1-amine
CID 68374648

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylcyclohexen-1-amine?
The IUPAC name of N,N,4-trimethylcyclohexen-1-amine (CID 14318945) is N,N,4-trimethylcyclohexen-1-amine.
What is the SMILES notation for N,N,4-trimethylcyclohexen-1-amine?
The canonical SMILES for N,N,4-trimethylcyclohexen-1-amine is CC1CC=C(N(C)C)CC1.
What is the InChIKey of N,N,4-trimethylcyclohexen-1-amine?
The InChIKey is TYZVXSRSQDSPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-4-6-9(7-5-8)10(2)3/h6,8H,4-5,7H2,1-3H3.
What are the key properties of N,N,4-trimethylcyclohexen-1-amine?
N,N,4-trimethylcyclohexen-1-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylcyclohexen-1-amine is sourced from PubChem (CID 14318945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).