3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline

C13H19N — CID 95376117

IUPAC3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
SMILESCc1cccc(N[C@@H]2CC[C@@H](C)C2)c1
InChIInChI=1S/C13H19N/c1-10-4-3-5-12(8-10)14-13-7-6-11(2)9-13/h3-5,8,11,13-14H,6-7,9H2,1-2H3/t11-,13-/m1/s1
InChIKeyZDPVJTUNMSVZIT-DGCLKSJQSA-N
MW189.30 g/mol
LogP3.60
Rot. Bonds2

About 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline

3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline (PubChem CID 95376117) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
PubChem CID95376117
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline
SMILESCc1cccc(N[C@@H]2CC[C@@H](C)C2)c1
InChIInChI=1S/C13H19N/c1-10-4-3-5-12(8-10)14-13-7-6-11(2)9-13/h3-5,8,11,13-14H,6-7,9H2,1-2H3/t11-,13-/m1/s1
InChIKeyZDPVJTUNMSVZIT-DGCLKSJQSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S,3R)-3-methylcyclopentyl]-3-methylsulfanylaniline
CID 95376135
1-N-(3-methylphenyl)cyclohexane-1,3-diamine
CID 79458335
N-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 105470482
4-bromo-N-(3-methylcyclopentyl)aniline
CID 64501647
N-(3-methylphenyl)piperidin-4-amine;dihydrochloride
CID 66545678
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
N-(3-methylphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65087459
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
ethane;methylcyclopropane;1,3-xylene
CID 142338532
3-bromo-2-methyl-N-(3-methylcyclopentyl)aniline
CID 107629941
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline?
The IUPAC name of 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline (CID 95376117) is 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline.
What is the SMILES notation for 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline?
The canonical SMILES for 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline is Cc1cccc(N[C@@H]2CC[C@@H](C)C2)c1.
What is the InChIKey of 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline?
The InChIKey is ZDPVJTUNMSVZIT-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H19N/c1-10-4-3-5-12(8-10)14-13-7-6-11(2)9-13/h3-5,8,11,13-14H,6-7,9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline?
3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline has a molecular weight of 189.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1R,3R)-3-methylcyclopentyl]aniline is sourced from PubChem (CID 95376117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).