N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine

C14H24ClN — CID 79550427

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine
SMILESCN(CC1CC(Cl)C1)CC1CC2CCC1C2
InChIInChI=1S/C14H24ClN/c1-16(8-11-6-14(15)7-11)9-13-5-10-2-3-12(13)4-10/h10-14H,2-9H2,1H3
InChIKeyQGIWSPLZZDSHQX-UHFFFAOYSA-N
MW241.81 g/mol
LogP3.37
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine (PubChem CID 79550427) has the molecular formula C14H24ClN and a molecular weight of 241.81 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine
PubChem CID79550427
Molecular FormulaC14H24ClN
Molecular Weight241.81 g/mol
Exact Mass241.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine
SMILESCN(CC1CC(Cl)C1)CC1CC2CCC1C2
InChIInChI=1S/C14H24ClN/c1-16(8-11-6-14(15)7-11)9-13-5-10-2-3-12(13)4-10/h10-14H,2-9H2,1H3
InChIKeyQGIWSPLZZDSHQX-UHFFFAOYSA-N
XLogP3.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.81
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462
[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl-trifluoroboranuide
CID 63685558
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-chloro-N-methylbut-2-en-1-amine
CID 77051245
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
2-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]-4-ethyl-N-methylcyclohexan-1-amine
CID 63681524
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 55232044
methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-oxopropanoic acid
CID 63685758
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 65267300
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N'-methyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55233639
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N-tert-butyl-N'-methylethane-1,2-diamine
CID 63683794

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine (CID 79550427) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine is CN(CC1CC(Cl)C1)CC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine?
The InChIKey is QGIWSPLZZDSHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN/c1-16(8-11-6-14(15)7-11)9-13-5-10-2-3-12(13)4-10/h10-14H,2-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine has a molecular weight of 241.81 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(3-chlorocyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 79550427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).