3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine

C14H24N2 — CID 66399217

IUPAC3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2ccn(C)c2)CC1C
InChIInChI=1S/C14H24N2/c1-11-4-5-14(8-12(11)2)15-9-13-6-7-16(3)10-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3
InChIKeyWBCPMEOFZNLFGS-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.94
Rot. Bonds3

About 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine (PubChem CID 66399217) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine
PubChem CID66399217
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine
SMILESCC1CCC(NCc2ccn(C)c2)CC1C
InChIInChI=1S/C14H24N2/c1-11-4-5-14(8-12(11)2)15-9-13-6-7-16(3)10-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3
InChIKeyWBCPMEOFZNLFGS-UHFFFAOYSA-N
XLogP2.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-3-yl)methyl]oxan-4-amine
CID 66397450
1,5-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-amine
CID 115726418
N-[(4-iodophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 65478000
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
(1S,3S,4R)-3,4-dimethyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]cyclohexan-1-amine
CID 99624768
3,4-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64731806
4-[[(3,4-dimethylcyclohexyl)amino]methyl]benzene-1,2-diol
CID 64738706
N-[(3,4-difluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64745038
[3-[[(3,4-dimethylcyclohexyl)amino]methyl]phenyl]methanol
CID 104854163
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
N-[3-(1-methylpyrrol-3-yl)propyl]cyclopropanamine
CID 96656264
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine (CID 66399217) is 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine is CC1CCC(NCc2ccn(C)c2)CC1C.
What is the InChIKey of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is WBCPMEOFZNLFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-4-5-14(8-12(11)2)15-9-13-6-7-16(3)10-13/h6-7,10-12,14-15H,4-5,8-9H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66399217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).