N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine

C11H18N2 — CID 127013314

IUPACN-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine
SMILESCN(Cc1cc[nH]c1)C1CCCC1
InChIInChI=1S/C11H18N2/c1-13(11-4-2-3-5-11)9-10-6-7-12-8-10/h6-8,11-12H,2-5,9H2,1H3
InChIKeyCHMLUAXOZBCKJO-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.39
Rot. Bonds3

About N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine

N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine (PubChem CID 127013314) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine
PubChem CID127013314
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine
SMILESCN(Cc1cc[nH]c1)C1CCCC1
InChIInChI=1S/C11H18N2/c1-13(11-4-2-3-5-11)9-10-6-7-12-8-10/h6-8,11-12H,2-5,9H2,1H3
InChIKeyCHMLUAXOZBCKJO-UHFFFAOYSA-N
XLogP2.39
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-methyl-N-[(4-methylphenyl)methyl]cyclohexanamine
CID 143603209
N'-cyclopropyl-N'-methyl-N-(1H-pyrrol-3-ylmethyl)ethane-1,2-diamine
CID 66408114
CID 174466109
CID 174466109
N-ethyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 131214994
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62424446
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cycloheptanamine
CID 103438311
N-[(3,4-dichlorophenyl)methyl]-N-methylcyclopentanamine
CID 90686398
N-methyl-N-[(4-trimethylsilylphenyl)methyl]cyclohexanamine
CID 103438253
4-[[cyclopentyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 113219780
4-[[cycloheptyl(methyl)amino]methyl]-2,6-dimethylphenol
CID 115279600
N-methyl-N-[(4-nitrophenyl)methyl]cyclohexanamine
CID 757291
(1S)-1-cyclohexyl-N-(1H-pyrrol-3-ylmethyl)ethanamine
CID 81387504

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine?
The IUPAC name of N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine (CID 127013314) is N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine?
The canonical SMILES for N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine is CN(Cc1cc[nH]c1)C1CCCC1.
What is the InChIKey of N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine?
The InChIKey is CHMLUAXOZBCKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-13(11-4-2-3-5-11)9-10-6-7-12-8-10/h6-8,11-12H,2-5,9H2,1H3.
What are the key properties of N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine?
N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine has a molecular weight of 178.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-pyrrol-3-ylmethyl)cyclopentanamine is sourced from PubChem (CID 127013314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).