N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine

C13H23N3 — CID 115213622

IUPACN-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine
SMILESCNC1CCC(CN(C)c2cc[nH]c2)CC1
InChIInChI=1S/C13H23N3/c1-14-12-5-3-11(4-6-12)10-16(2)13-7-8-15-9-13/h7-9,11-12,14-15H,3-6,10H2,1-2H3
InChIKeyQIVCGBMWHNPUBC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.23
Rot. Bonds4

About N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine

N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine (PubChem CID 115213622) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine
PubChem CID115213622
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine
SMILESCNC1CCC(CN(C)c2cc[nH]c2)CC1
InChIInChI=1S/C13H23N3/c1-14-12-5-3-11(4-6-12)10-16(2)13-7-8-15-9-13/h7-9,11-12,14-15H,3-6,10H2,1-2H3
InChIKeyQIVCGBMWHNPUBC-UHFFFAOYSA-N
XLogP2.23
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3,4-trimethyl-N-[[4-(methylamino)cyclohexyl]methyl]aniline
CID 115213609
N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213747
N,1-dimethyl-N-[[4-(methylamino)cyclohexyl]methyl]piperidin-3-amine
CID 115213642
N-methyl-N-(2-pyrrolidin-2-ylethyl)-1H-pyrrol-3-amine
CID 115210229
N-(cyclopropylmethyl)-N,1-dimethylpyridin-1-ium-4-amine
CID 143948010
4-[methyl(1H-pyrrol-3-yl)amino]cyclohexan-1-ol
CID 115149437
1-[4-[cyclopropylmethyl(methyl)amino]phenyl]ethanone
CID 60967715
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213525
4-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-3-yl)cyclohexane-1-carboxamide
CID 115151099
4-[(tert-butylamino)methyl]-N-(cyclopropylmethyl)-N-methylaniline
CID 63060237
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236805

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine?
The IUPAC name of N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine (CID 115213622) is N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine.
What is the SMILES notation for N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine?
The canonical SMILES for N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine is CNC1CCC(CN(C)c2cc[nH]c2)CC1.
What is the InChIKey of N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine?
The InChIKey is QIVCGBMWHNPUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-12-5-3-11(4-6-12)10-16(2)13-7-8-15-9-13/h7-9,11-12,14-15H,3-6,10H2,1-2H3.
What are the key properties of N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine?
N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine is sourced from PubChem (CID 115213622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).