3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine

C15H29N3 — CID 79617933

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-16-14-3-2-4-15(11-14)18-9-7-17(8-10-18)12-13-5-6-13/h13-16H,2-12H2,1H3
InChIKeyBPILHQODLBRHBF-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds4

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine

3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine (PubChem CID 79617933) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
PubChem CID79617933
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCC(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C15H29N3/c1-16-14-3-2-4-15(11-14)18-9-7-17(8-10-18)12-13-5-6-13/h13-16H,2-12H2,1H3
InChIKeyBPILHQODLBRHBF-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazin-1-yl)-N-methylcyclohexan-1-amine
CID 58236041
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 71196303
N-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 79619155
(3R)-N-methyl-3-(4-methylpiperazin-1-yl)cyclohexan-1-amine
CID 70920710
3-(4-ethylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 79618405
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79643309
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964
1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 170953584
3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
CID 79469281
N-methyl-3-(4-methylazepan-1-yl)cyclohexan-1-amine
CID 79619483
3-(4-methoxypiperidin-1-yl)-N-methylcyclohexan-1-amine
CID 79631436
1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
CID 177134711

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine (CID 79617933) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine is CNC1CCCC(N2CCN(CC3CC3)CC2)C1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
The InChIKey is BPILHQODLBRHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-16-14-3-2-4-15(11-14)18-9-7-17(8-10-18)12-13-5-6-13/h13-16H,2-12H2,1H3.
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 79617933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).