N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine

C15H31N3 — CID 115240363

IUPACN-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
SMILESCN(CCCCN1CCNCC1)C1CCCCC1
InChIInChI=1S/C15H31N3/c1-17(15-7-3-2-4-8-15)11-5-6-12-18-13-9-16-10-14-18/h15-16H,2-14H2,1H3
InChIKeyVPELFXLVTFLQSH-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.94
Rot. Bonds6

About N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine

N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine (PubChem CID 115240363) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine.

Molecular Properties

Compound NameN-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
PubChem CID115240363
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
SMILESCN(CCCCN1CCNCC1)C1CCCCC1
InChIInChI=1S/C15H31N3/c1-17(15-7-3-2-4-8-15)11-5-6-12-18-13-9-16-10-14-18/h15-16H,2-14H2,1H3
InChIKeyVPELFXLVTFLQSH-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
CID 117029722
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
CID 65077785
N-methyl-N-(3-piperidin-1-ylpropyl)piperidin-3-amine;dihydrochloride
CID 154890245
4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
CID 65094562
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757824
N-cyclobutyl-N-methyl-3-piperazin-1-ylpropanamide
CID 115171758
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
CID 115229945
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine?
The IUPAC name of N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine (CID 115240363) is N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine.
What is the SMILES notation for N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine?
The canonical SMILES for N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine is CN(CCCCN1CCNCC1)C1CCCCC1.
What is the InChIKey of N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine?
The InChIKey is VPELFXLVTFLQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17(15-7-3-2-4-8-15)11-5-6-12-18-13-9-16-10-14-18/h15-16H,2-14H2,1H3.
What are the key properties of N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine?
N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine has a molecular weight of 253.43 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine is sourced from PubChem (CID 115240363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).