N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine

C13H23N3 — CID 11557610

IUPACN-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine
SMILESc1ncc(CCCCCNC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1(2-8-13-10-14-11-16-13)5-9-15-12-6-3-4-7-12/h10-12,15H,1-9H2,(H,14,16)
InChIKeyZHNRRDSCSQZYAU-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds7

About N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine

N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine (PubChem CID 11557610) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine.

Molecular Properties

Compound NameN-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine
PubChem CID11557610
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine
SMILESc1ncc(CCCCCNC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1(2-8-13-10-14-11-16-13)5-9-15-12-6-3-4-7-12/h10-12,15H,1-9H2,(H,14,16)
InChIKeyZHNRRDSCSQZYAU-UHFFFAOYSA-N
XLogP2.65
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine?
The IUPAC name of N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine (CID 11557610) is N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine.
What is the SMILES notation for N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine?
The canonical SMILES for N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine is c1ncc(CCCCCNC2CCCC2)[nH]1.
What is the InChIKey of N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine?
The InChIKey is ZHNRRDSCSQZYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1(2-8-13-10-14-11-16-13)5-9-15-12-6-3-4-7-12/h10-12,15H,1-9H2,(H,14,16).
What are the key properties of N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine?
N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-imidazol-5-yl)pentyl]cyclopentanamine is sourced from PubChem (CID 11557610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).