N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine

C15H27N3 — CID 115213747

IUPACN-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCc2ccc[nH]2)CC1
InChIInChI=1S/C15H27N3/c1-16-14-7-5-13(6-8-14)12-18(2)11-9-15-4-3-10-17-15/h3-4,10,13-14,16-17H,5-9,11-12H2,1-2H3
InChIKeyBZZRRISBWJFPGF-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.27
Rot. Bonds6

About N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine

N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine (PubChem CID 115213747) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
PubChem CID115213747
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCc2ccc[nH]2)CC1
InChIInChI=1S/C15H27N3/c1-16-14-7-5-13(6-8-14)12-18(2)11-9-15-4-3-10-17-15/h3-4,10,13-14,16-17H,5-9,11-12H2,1-2H3
InChIKeyBZZRRISBWJFPGF-UHFFFAOYSA-N
XLogP2.27
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(2-bromophenyl)ethyl-methylamino]methyl]-N-methylcyclohexan-1-amine
CID 115213756
N-methyl-4-[[methyl-[2-(5-methylfuran-2-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213752
N-methyl-2-piperidin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115211459
1-N-methyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115196941
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
CID 115213754
1-N,4-N-dimethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,4-diamine
CID 117041478
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239943
N-methyl-N-[[4-(methylamino)cyclohexyl]methyl]-1H-pyrrol-3-amine
CID 115213622
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213525
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]cyclohexan-1-ol
CID 115239951

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine (CID 115213747) is N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine is CNC1CCC(CN(C)CCc2ccc[nH]2)CC1.
What is the InChIKey of N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is BZZRRISBWJFPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-16-14-7-5-13(6-8-14)12-18(2)11-9-15-4-3-10-17-15/h3-4,10,13-14,16-17H,5-9,11-12H2,1-2H3.
What are the key properties of N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine?
N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).