N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride

C13H25ClN2O — CID 115676200

IUPACN-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
SMILESCl.O=C(NCCCNC1CCCC1)C1CCC1
InChIInChI=1S/C13H24N2O.ClH/c16-13(11-5-3-6-11)15-10-4-9-14-12-7-1-2-8-12;/h11-12,14H,1-10H2,(H,15,16);1H
InChIKeyWRANEWSAXNBXQQ-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.25
Rot. Bonds6

About N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride

N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride (PubChem CID 115676200) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
PubChem CID115676200
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
SMILESCl.O=C(NCCCNC1CCCC1)C1CCC1
InChIInChI=1S/C13H24N2O.ClH/c16-13(11-5-3-6-11)15-10-4-9-14-12-7-1-2-8-12;/h11-12,14H,1-10H2,(H,15,16);1H
InChIKeyWRANEWSAXNBXQQ-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.25
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-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride (CID 115676200) is N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride is Cl.O=C(NCCCNC1CCCC1)C1CCC1.
What is the InChIKey of N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride?
The InChIKey is WRANEWSAXNBXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c16-13(11-5-3-6-11)15-10-4-9-14-12-7-1-2-8-12;/h11-12,14H,1-10H2,(H,15,16);1H.
What are the key properties of N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride?
N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride is sourced from PubChem (CID 115676200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).