2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine

C15H31N3 — CID 116952547

IUPAC2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine
SMILESCNC(C1CCCCC1)C1CCN(CCN)CC1
InChIInChI=1S/C15H31N3/c1-17-15(13-5-3-2-4-6-13)14-7-10-18(11-8-14)12-9-16/h13-15,17H,2-12,16H2,1H3
InChIKeyCTAKFIDOPCIENM-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.83
Rot. Bonds5

About 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine

2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine (PubChem CID 116952547) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine
PubChem CID116952547
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine
SMILESCNC(C1CCCCC1)C1CCN(CCN)CC1
InChIInChI=1S/C15H31N3/c1-17-15(13-5-3-2-4-6-13)14-7-10-18(11-8-14)12-9-16/h13-15,17H,2-12,16H2,1H3
InChIKeyCTAKFIDOPCIENM-UHFFFAOYSA-N
XLogP1.83
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[methylamino-(1-methylpiperidin-4-yl)methyl]piperidin-1-yl]ethanamine
CID 116952550
1-[1-(2-aminoethyl)piperidin-4-yl]-N-methylbutan-1-amine
CID 116952523
1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
2-[4-[cyclobutyl(dimethylamino)methyl]piperidin-1-yl]ethanamine
CID 116907385
2-(4-methylpiperidin-1-yl)ethanamine;propane
CID 142306647
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
1-cyclohexyl-N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 104746658
ethane;2-(4-methylpiperidin-1-yl)ethanamine
CID 143291209
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196
1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
CID 104746281
2-[4-(2-aminoethyl)piperazin-1-yl]-N-cyclododecyl-2-oxoacetamide
CID 108517344
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine (CID 116952547) is 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine is CNC(C1CCCCC1)C1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine?
The InChIKey is CTAKFIDOPCIENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17-15(13-5-3-2-4-6-13)14-7-10-18(11-8-14)12-9-16/h13-15,17H,2-12,16H2,1H3.
What are the key properties of 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine?
2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexyl(methylamino)methyl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 116952547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).