4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine

C14H25N3 — CID 115213525

IUPAC4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
SMILESCN(CCc1cc[nH]c1)CC1CCC(N)CC1
InChIInChI=1S/C14H25N3/c1-17(9-7-12-6-8-16-10-12)11-13-2-4-14(15)5-3-13/h6,8,10,13-14,16H,2-5,7,9,11,15H2,1H3
InChIKeySSGZBFQYQMZGDP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.01
Rot. Bonds5

About 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine

4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine (PubChem CID 115213525) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
PubChem CID115213525
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
SMILESCN(CCc1cc[nH]c1)CC1CCC(N)CC1
InChIInChI=1S/C14H25N3/c1-17(9-7-12-6-8-16-10-12)11-13-2-4-14(15)5-3-13/h6,8,10,13-14,16H,2-5,7,9,11,15H2,1H3
InChIKeySSGZBFQYQMZGDP-UHFFFAOYSA-N
XLogP2.01
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239943
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
4-N-[2-(1H-pyrrol-3-yl)ethyl]cyclohexane-1,4-diamine
CID 115149878
4-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexan-1-amine
CID 60984087
3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115213082
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
CID 115145619
N-(cyclopropylmethyl)-N-methyl-3-phenylpropan-1-amine
CID 54365066
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine (CID 115213525) is 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine is CN(CCc1cc[nH]c1)CC1CCC(N)CC1.
What is the InChIKey of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine?
The InChIKey is SSGZBFQYQMZGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-17(9-7-12-6-8-16-10-12)11-13-2-4-14(15)5-3-13/h6,8,10,13-14,16H,2-5,7,9,11,15H2,1H3.
What are the key properties of 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine?
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 115213525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).