N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H24N2 — CID 114620534

IUPACN-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1C=CCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2/c1-16(13-5-3-2-4-6-13)14-9-11-7-8-12(10-14)15-11/h3,5,11-15H,2,4,6-10H2,1H3
InChIKeyLDGIQQCZYXCBGZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.31
Rot. Bonds2

About N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114620534) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114620534
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(C1C=CCCC1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2/c1-16(13-5-3-2-4-6-13)14-9-11-7-8-12(10-14)15-11/h3,5,11-15H,2,4,6-10H2,1H3
InChIKeyLDGIQQCZYXCBGZ-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 45075231
N-methyl-N-(3-methylcyclohexyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231424
N-methyl-N-(oxan-4-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230843
N-methyl-N-(3-methylcyclopentyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 64516668
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700
N-(8-azabicyclo[3.2.1]octan-3-yl)-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230477
N-cyclohex-2-en-1-yl-N-ethylazetidin-3-amine
CID 114620591
N-(1-ethylpiperidin-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231042
1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine
CID 126982158
N-cyclohex-2-en-1-yl-N-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 71976779
5-azabicyclo[2.1.1]hexane;1,2,3,4-tetrahydropyridine
CID 168910052
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylpyrrolidine-1-sulfonamide
CID 61231070

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 114620534) is N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(C1C=CCCC1)C1CC2CCC(C1)N2.
What is the InChIKey of N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LDGIQQCZYXCBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-16(13-5-3-2-4-6-13)14-9-11-7-8-12(10-14)15-11/h3,5,11-15H,2,4,6-10H2,1H3.
What are the key properties of N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114620534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).