N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride

C13H25ClN2O — CID 115677517

IUPACN-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride
SMILESCC(NCCCNC(=O)C1CCC1)C1CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10(11-6-7-11)14-8-3-9-15-13(16)12-4-2-5-12;/h10-12,14H,2-9H2,1H3,(H,15,16);1H
InChIKeyDURALQCIRKMYCZ-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.10
Rot. Bonds7

About N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride

N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride (PubChem CID 115677517) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride
PubChem CID115677517
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride
SMILESCC(NCCCNC(=O)C1CCC1)C1CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10(11-6-7-11)14-8-3-9-15-13(16)12-4-2-5-12;/h10-12,14H,2-9H2,1H3,(H,15,16);1H
InChIKeyDURALQCIRKMYCZ-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.10
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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Related Compounds

N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115676200
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
[(1S)-1-cyclopropylethyl] 3-(cyclobutanecarbonylamino)propanoate
CID 95572913
3-(1-cyclobutylethylamino)propan-1-ol
CID 115705210
N-[2-(1-cyclobutylethylamino)ethyl]acetamide
CID 107530057
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(3-bromopropyl)cyclopentanecarboxamide
CID 43133630
N-[2-(methylamino)ethyl]cyclobutanecarboxamide
CID 62659847
N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride?
The IUPAC name of N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride (CID 115677517) is N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride.
What is the SMILES notation for N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride?
The canonical SMILES for N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride is CC(NCCCNC(=O)C1CCC1)C1CC1.Cl.
What is the InChIKey of N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride?
The InChIKey is DURALQCIRKMYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-10(11-6-7-11)14-8-3-9-15-13(16)12-4-2-5-12;/h10-12,14H,2-9H2,1H3,(H,15,16);1H.
What are the key properties of N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride?
N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclopropylethylamino)propyl]cyclobutanecarboxamide;hydrochloride is sourced from PubChem (CID 115677517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).