N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine

C15H31N3 — CID 115255377

IUPACN-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCC(CNCC1CCCCC1)CN1CCNCC1
InChIInChI=1S/C15H31N3/c1-14(13-18-9-7-16-8-10-18)11-17-12-15-5-3-2-4-6-15/h14-17H,2-13H2,1H3
InChIKeyGEAHACVWWDJVLK-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.70
Rot. Bonds6

About N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine

N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 115255377) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
PubChem CID115255377
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine
SMILESCC(CNCC1CCCCC1)CN1CCNCC1
InChIInChI=1S/C15H31N3/c1-14(13-18-9-7-16-8-10-18)11-17-12-15-5-3-2-4-6-15/h14-17H,2-13H2,1H3
InChIKeyGEAHACVWWDJVLK-UHFFFAOYSA-N
XLogP1.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
N-(cyclohexylmethyl)-1-ethylpiperidin-4-amine
CID 2846481
1-(4-Methyl-cyclohexyl)-piperazinehydrochloride
CID 16188159
[1-(Piperidin-1-yl)cyclohexyl]methanamine
CID 398402
1-(Cyclohexylmethyl)piperazine
CID 2735885
N-[1-(2-cyclohexylethyl)piperidin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 44389041
(2S,3S)-2-((R)-4-(3-cyclohexylpropyl)-3-isopropylpiperazin-1-yl)-N,3-dimethylpentan-1-amine
CID 45482257
1-methyl-N-(2-methylcyclohexyl)piperidin-4-amine
CID 2846586
N-(cyclohexylmethyl)-3-[4-[3-(cyclohexylmethylamino)propyl]piperazin-1-yl]propan-1-amine
CID 11741263
1-Methyl-4-(piperidin-3-ylmethyl)piperazine
CID 20668416
Dimethyl(2-(piperidin-3-yl)ethyl)amine
CID 21186415
1-Methyl-4-(piperidin-4-ylmethyl)piperazine
CID 23391792

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine (CID 115255377) is N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine is CC(CNCC1CCCCC1)CN1CCNCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is GEAHACVWWDJVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(13-18-9-7-16-8-10-18)11-17-12-15-5-3-2-4-6-15/h14-17H,2-13H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine?
N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-methyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115255377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).