N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine

C15H31N3 — CID 117029722

IUPACN-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
SMILESCN(CCCN1CCNCC1)C1CCCCCC1
InChIInChI=1S/C15H31N3/c1-17(15-7-4-2-3-5-8-15)11-6-12-18-13-9-16-10-14-18/h15-16H,2-14H2,1H3
InChIKeyMJJFJVSDQXTLPF-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.94
Rot. Bonds5

About N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine

N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine (PubChem CID 117029722) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine.

Molecular Properties

Compound NameN-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
PubChem CID117029722
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine
SMILESCN(CCCN1CCNCC1)C1CCCCCC1
InChIInChI=1S/C15H31N3/c1-17(15-7-4-2-3-5-8-15)11-6-12-18-13-9-16-10-14-18/h15-16H,2-14H2,1H3
InChIKeyMJJFJVSDQXTLPF-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

N-methyl-N-(4-piperazin-1-ylbutyl)cyclohexanamine
CID 115240363
N-methyl-N-(3-piperidin-1-ylpropyl)cyclopropanamine
CID 143608812
N-methyl-N-(3-piperidin-1-ylpropyl)piperidin-3-amine;dihydrochloride
CID 154890245
1-ethyl-N-methyl-N-(2-piperazin-1-ylethyl)azepan-4-amine
CID 65077785
N-(cyclopentylmethyl)-N-methyl-3-piperazin-1-ylpropan-1-amine
CID 115230585
4-tert-butyl-N-methyl-N-(2-piperazin-1-ylethyl)cycloheptan-1-amine
CID 65094562
N-methyl-N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64757824
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-methyl-N-(3-pyrrolidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 54960917
N,1-dimethyl-N-(piperazin-1-ylmethyl)piperidin-4-amine
CID 115229945
N-(cyclobutylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 62860620

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine?
The IUPAC name of N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine (CID 117029722) is N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine.
What is the SMILES notation for N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine?
The canonical SMILES for N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine is CN(CCCN1CCNCC1)C1CCCCCC1.
What is the InChIKey of N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine?
The InChIKey is MJJFJVSDQXTLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-17(15-7-4-2-3-5-8-15)11-6-12-18-13-9-16-10-14-18/h15-16H,2-14H2,1H3.
What are the key properties of N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine?
N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine has a molecular weight of 253.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-piperazin-1-ylpropyl)cycloheptanamine is sourced from PubChem (CID 117029722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).