N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide

C17H32N2O — CID 102873935

IUPACN-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)N(CCCN)C2CCC2)CCCC1
InChIInChI=1S/C17H32N2O/c1-14(2)13-17(9-3-4-10-17)16(20)19(12-6-11-18)15-7-5-8-15/h14-15H,3-13,18H2,1-2H3
InChIKeyKAORZVDLZHNLIZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.32
Rot. Bonds7

About N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 102873935) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID102873935
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)N(CCCN)C2CCC2)CCCC1
InChIInChI=1S/C17H32N2O/c1-14(2)13-17(9-3-4-10-17)16(20)19(12-6-11-18)15-7-5-8-15/h14-15H,3-13,18H2,1-2H3
InChIKeyKAORZVDLZHNLIZ-UHFFFAOYSA-N
XLogP3.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 102873935) is N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)N(CCCN)C2CCC2)CCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is KAORZVDLZHNLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(2)13-17(9-3-4-10-17)16(20)19(12-6-11-18)15-7-5-8-15/h14-15H,3-13,18H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 280.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclobutyl-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 102873935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).