N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine

C15H31N3 — CID 79659614

IUPACN-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC1)C1CN(C)CCN1C
InChIInChI=1S/C15H31N3/c1-4-9-16-15(13-7-5-6-8-13)14-12-17(2)10-11-18(14)3/h13-16H,4-12H2,1-3H3
InChIKeyCMOZYFQVYVXZCW-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine

N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine (PubChem CID 79659614) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
PubChem CID79659614
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(C1CCCC1)C1CN(C)CCN1C
InChIInChI=1S/C15H31N3/c1-4-9-16-15(13-7-5-6-8-13)14-12-17(2)10-11-18(14)3/h13-16H,4-12H2,1-3H3
InChIKeyCMOZYFQVYVXZCW-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylcyclohexyl)-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine
CID 79664405
[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]hydrazine
CID 105247208
N-[cyclohexyl-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445322
1-(1,4-dimethylpiperazin-2-yl)-N-propylpropan-1-amine
CID 79659112
N-[cyclohexyl(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]propan-1-amine
CID 79974439
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
[(1,4-dimethylpiperazin-2-yl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105247326
2-cyclopentyl-1-(1,4-dimethylpiperazin-2-yl)-N-methylethanamine
CID 79658507
N-[1-(1,4-dimethylpiperazin-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 79666373
1-(1,4-dimethylpiperazin-2-yl)-3-ethyl-N-propylheptan-1-amine
CID 79664602
N-[cyclobutyl-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 64986298
[(1,4-dimethylpiperazin-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105247241

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine (CID 79659614) is N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine is CCCNC(C1CCCC1)C1CN(C)CCN1C.
What is the InChIKey of N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
The InChIKey is CMOZYFQVYVXZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-9-16-15(13-7-5-6-8-13)14-12-17(2)10-11-18(14)3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine?
N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-(1,4-dimethylpiperazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79659614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).