1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine

C13H27N3 — CID 61442918

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-2-3-13(14)11-16-8-6-15(7-9-16)10-12-4-5-12/h12-13H,2-11,14H2,1H3
InChIKeyLBQSSMCWKUTYTR-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds6

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine

1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine (PubChem CID 61442918) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
PubChem CID61442918
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
SMILESCCCC(N)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-2-3-13(14)11-16-8-6-15(7-9-16)10-12-4-5-12/h12-13H,2-11,14H2,1H3
InChIKeyLBQSSMCWKUTYTR-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine
CID 65233062
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
CID 93255682
1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
CID 62042082
1-(4-tert-butylpiperidin-1-yl)pentan-2-amine
CID 62089164
1-piperidin-1-ylpentan-2-amine
CID 43650435
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
1-cyclopropyl-2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylethanamine
CID 63912798
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-amine
CID 63160786

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine (CID 61442918) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine is CCCC(N)CN1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine?
The InChIKey is LBQSSMCWKUTYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-3-13(14)11-16-8-6-15(7-9-16)10-12-4-5-12/h12-13H,2-11,14H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine?
1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine is sourced from PubChem (CID 61442918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).