(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine

C16H25N — CID 58098336

IUPAC(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1[C@H](C1CCCC1C)N(C)C
InChIInChI=1S/C16H25N/c1-12-8-5-6-10-14(12)16(17(3)4)15-11-7-9-13(15)2/h5-6,8,10,13,15-16H,7,9,11H2,1-4H3/t13?,15?,16-/m1/s1
InChIKeyADLVZWXSYGTUIU-AVVWSFFYSA-N
MW231.38 g/mol
LogP4.03
Rot. Bonds3

About (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine

(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine (PubChem CID 58098336) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine
PubChem CID58098336
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine
SMILESCc1ccccc1[C@H](C1CCCC1C)N(C)C
InChIInChI=1S/C16H25N/c1-12-8-5-6-10-14(12)16(17(3)4)15-11-7-9-13(15)2/h5-6,8,10,13,15-16H,7,9,11H2,1-4H3/t13?,15?,16-/m1/s1
InChIKeyADLVZWXSYGTUIU-AVVWSFFYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-methylcyclopentyl)-(2-methylphenyl)methanol
CID 59207162
cyclopentane;ethane;iron;1-methyl-2-[(1S)-1-(2-methylcyclopentyl)ethyl]benzene
CID 162283408
4-[dimethylamino-(2-methylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116907238
1-(2-methylcyclopentyl)-2-(2-methylphenyl)ethanol
CID 107183436
N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
trans-(1R,2R)-2-[(R)-(2-chlorophenyl)-(dimethylamino)methyl]cyclohexan-1-amine
CID 11737219
(2-fluorophenyl)-(2-methylcyclopentyl)methanamine
CID 107188100
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
CID 107182429
(R)-(2-ethylcyclopentyl)-(2-methylphenyl)methanol
CID 59207149
(1S)-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylcyclopentyl]-1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylphenyl]-N,N-dimethylmethanamine
CID 58160434
(R)-cyclopentyl-(2-methylphenyl)methanol
CID 93312335

Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine?
The IUPAC name of (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine (CID 58098336) is (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine is Cc1ccccc1[C@H](C1CCCC1C)N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine?
The InChIKey is ADLVZWXSYGTUIU-AVVWSFFYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-8-5-6-10-14(12)16(17(3)4)15-11-7-9-13(15)2/h5-6,8,10,13,15-16H,7,9,11H2,1-4H3/t13?,15?,16-/m1/s1.
What are the key properties of (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine?
(1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine has a molecular weight of 231.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-(2-methylcyclopentyl)-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 58098336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).