1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

C19H31N — CID 107191342

IUPAC1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1CCCC1(C)C
InChIInChI=1S/C19H31N/c1-14(2)12-15-8-6-9-16(13-15)18(20-5)17-10-7-11-19(17,3)4/h6,8-9,13-14,17-18,20H,7,10-12H2,1-5H3
InChIKeyDPUGTEHXXNBJOL-UHFFFAOYSA-N
MW273.46 g/mol
LogP4.97
Rot. Bonds5

About 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine

1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 107191342) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID107191342
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
SMILESCNC(c1cccc(CC(C)C)c1)C1CCCC1(C)C
InChIInChI=1S/C19H31N/c1-14(2)12-15-8-6-9-16(13-15)18(20-5)17-10-7-11-19(17,3)4/h6,8-9,13-14,17-18,20H,7,10-12H2,1-5H3
InChIKeyDPUGTEHXXNBJOL-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylcyclohexyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 116544532
1-(6-bicyclo[3.1.0]hexanyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050622
1-(3-cyclopropyloxyphenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191377
1-(2,2-dimethylcyclopentyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 107188518
N-methyl-1-[3-(2-methylpropyl)phenyl]-1-(oxan-2-yl)methanamine
CID 105050817
1-(4-chlorophenyl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177171
1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248
N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
CID 116544690
[(2,2-dimethylcyclopentyl)-(3-methylphenyl)methyl]hydrazine
CID 107193327
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177185
1-(1-ethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine
CID 105050783
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine (CID 107191342) is 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is CNC(c1cccc(CC(C)C)c1)C1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is DPUGTEHXXNBJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-14(2)12-15-8-6-9-16(13-15)18(20-5)17-10-7-11-19(17,3)4/h6,8-9,13-14,17-18,20H,7,10-12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine?
1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 273.46 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopentyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 107191342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).