N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine

C11H21N — CID 123410708

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine
SMILESCCCN(C)CC1CC=CCC1
InChIInChI=1S/C11H21N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h4-5,11H,3,6-10H2,1-2H3
InChIKeyYQOIRESKZATJNS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine (PubChem CID 123410708) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine
PubChem CID123410708
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine
SMILESCCCN(C)CC1CC=CCC1
InChIInChI=1S/C11H21N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h4-5,11H,3,6-10H2,1-2H3
InChIKeyYQOIRESKZATJNS-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
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

Pyrrolidine, 1-(3-cyclohexene-1-ylmethyl)-, hydrochloride
CID 200464
3-Cyclohexene-1-methylamine, N-methyl-N-2-propynyl-
CID 202797
N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
4-Cyclopropyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 126720
4-Cyclohexyl-1,2,3,6-tetrahydro-1-methylpyridine
CID 129268
Ethylamine, 2-(2-cyclopentenyl)-N,N,1-trimethyl-
CID 49664
3-Cyclohexene-1-methylamine, N,N-dimethyl-, hydrochloride
CID 200461
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
3-Cyclohexene-1-methylamine, N-cyclopropyl-N-methyl-
CID 204472
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
CID 118719152
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium iodide
CID 118719169
Cambridge id 5410985
CID 28239625

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine (CID 123410708) is N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine is CCCN(C)CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine?
The InChIKey is YQOIRESKZATJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h4-5,11H,3,6-10H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-methylpropan-1-amine is sourced from PubChem (CID 123410708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).