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

C13H25N3 — CID 79469281

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
SMILESNC1CCC(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C13H25N3/c14-12-3-4-13(9-12)16-7-5-15(6-8-16)10-11-1-2-11/h11-13H,1-10,14H2
InChIKeyGDSUSAQBEJJPNA-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.89
Rot. Bonds3

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

3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine (PubChem CID 79469281) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
PubChem CID79469281
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
SMILESNC1CCC(N2CCN(CC3CC3)CC2)C1
InChIInChI=1S/C13H25N3/c14-12-3-4-13(9-12)16-7-5-15(6-8-16)10-11-1-2-11/h11-13H,1-10,14H2
InChIKeyGDSUSAQBEJJPNA-UHFFFAOYSA-N
XLogP0.89
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine (CID 79469281) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine is NC1CCC(N2CCN(CC3CC3)CC2)C1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine?
The InChIKey is GDSUSAQBEJJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c14-12-3-4-13(9-12)16-7-5-15(6-8-16)10-11-1-2-11/h11-13H,1-10,14H2.
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine?
3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 0.89, 3 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]cyclopentan-1-amine is sourced from PubChem (CID 79469281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).