N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine

C11H19N3 — CID 115209574

IUPACN-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine
SMILESCN(CC1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C11H19N3/c1-14(11-5-3-7-13-11)9-10-4-2-6-12-8-10/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyBCBFMCWCXLRNIE-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.45
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine

N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine (PubChem CID 115209574) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine
PubChem CID115209574
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine
SMILESCN(CC1CCCNC1)c1ccc[nH]1
InChIInChI=1S/C11H19N3/c1-14(11-5-3-7-13-11)9-10-4-2-6-12-8-10/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3
InChIKeyBCBFMCWCXLRNIE-UHFFFAOYSA-N
XLogP1.45
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
CID 115213951
3-[methyl(piperidin-3-ylmethyl)amino]-2H-isoquinolin-1-one
CID 106642943
N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642131
3,5-difluoro-4-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642871
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
N-methyl-N-(1H-pyrrol-2-yl)piperidine-3-carboxamide
CID 115159891
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
N-methyl-N-[[(3S)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97164498
N,5-dimethyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 106642612
N,2-dimethyl-N-(piperidin-3-ylmethyl)pyridin-4-amine
CID 83837363
N,1-dimethyl-N-(piperidin-3-ylmethyl)imidazol-2-amine
CID 106642829
3-[methyl(piperidin-3-ylmethyl)amino]-2-nitrobenzonitrile
CID 106642785

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine (CID 115209574) is N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine is CN(CC1CCCNC1)c1ccc[nH]1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine?
The InChIKey is BCBFMCWCXLRNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(11-5-3-7-13-11)9-10-4-2-6-12-8-10/h3,5,7,10,12-13H,2,4,6,8-9H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine?
N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine has a molecular weight of 193.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine is sourced from PubChem (CID 115209574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).