N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine

C15H31N3 — CID 115230614

IUPACN-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
SMILESC1CCC(CCNCCCN2CCNCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-5-15(6-3-1)7-9-16-8-4-12-18-13-10-17-11-14-18/h15-17H,1-14H2
InChIKeyLCQWUCLWRNZQCZ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.84
Rot. Bonds7

About N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine

N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine (PubChem CID 115230614) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
PubChem CID115230614
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine
SMILESC1CCC(CCNCCCN2CCNCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-5-15(6-3-1)7-9-16-8-4-12-18-13-10-17-11-14-18/h15-17H,1-14H2
InChIKeyLCQWUCLWRNZQCZ-UHFFFAOYSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230617
2-(1-methylpiperidin-4-yl)-N-(2-piperazin-1-ylethyl)ethanamine
CID 115230410
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
2-cycloheptyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393131
N-[(1-methylpiperidin-4-yl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230561
2-cyclohexyl-N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]acetamide;hydrochloride
CID 119391449
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
N-(3-piperazin-1-ylpropyl)hexan-1-amine
CID 135182222
N'-(3-aminopropyl)propane-1,3-diamine;3-piperazin-1-ylpropan-1-amine
CID 175297988
N-(2-aminoethyl)-N'-[2-[3-(1,4,8,11-tetrazacyclotetradec-1-yl)propylamino]ethyl]propane-1,3-diamine
CID 24905558
N-(2-cyclohexylethyl)piperazine-1-sulfonamide
CID 54932858

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine (CID 115230614) is N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine is C1CCC(CCNCCCN2CCNCC2)CC1.
What is the InChIKey of N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine?
The InChIKey is LCQWUCLWRNZQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-2-5-15(6-3-1)7-9-16-8-4-12-18-13-10-17-11-14-18/h15-17H,1-14H2.
What are the key properties of N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine?
N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115230614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).