1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

C14H28N2 — CID 115676562

IUPAC1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC(NCC1CCCN1C)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-12(13-7-4-3-5-8-13)15-11-14-9-6-10-16(14)2/h12-15H,3-11H2,1-2H3
InChIKeyWAWLJSMHZHJYSU-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.64
Rot. Bonds4

About 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 115676562) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID115676562
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCC(NCC1CCCN1C)C1CCCCC1
InChIInChI=1S/C14H28N2/c1-12(13-7-4-3-5-8-13)15-11-14-9-6-10-16(14)2/h12-15H,3-11H2,1-2H3
InChIKeyWAWLJSMHZHJYSU-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-2-amine
CID 115712523
N-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]propanamide
CID 106025328
1-cyclopropyl-N-[(1-propan-2-ylpiperidin-2-yl)methyl]ethanamine
CID 115895087
N-[[(2S)-1-methylazetidin-2-yl]methyl]propan-2-amine
CID 170657574
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
2-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]acetic acid
CID 106020198
6-methyl-N-[(1-methylpiperidin-2-yl)methyl]heptan-2-amine
CID 62655246
1-cyclopropyl-2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 115712574
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
N-[2-(azepan-1-yl)ethyl]-1-cyclohexylethanamine
CID 61241929

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 115676562) is 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is CC(NCC1CCCN1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is WAWLJSMHZHJYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(13-7-4-3-5-8-13)15-11-14-9-6-10-16(14)2/h12-15H,3-11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 224.39 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 115676562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).