1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide

C15H25N3O — CID 80502256

IUPAC1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCN(C)C2CCCC2)C1
InChIInChI=1S/C15H25N3O/c1-12-9-15(10-12,11-16)14(19)17-7-8-18(2)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3,(H,17,19)
InChIKeyNJDLOBGXHYTCHQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.92
Rot. Bonds5

About 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide

1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide (PubChem CID 80502256) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
PubChem CID80502256
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C#N)(C(=O)NCCN(C)C2CCCC2)C1
InChIInChI=1S/C15H25N3O/c1-12-9-15(10-12,11-16)14(19)17-7-8-18(2)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3,(H,17,19)
InChIKeyNJDLOBGXHYTCHQ-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide (CID 80502256) is 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide is CC1CC(C#N)(C(=O)NCCN(C)C2CCCC2)C1.
What is the InChIKey of 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is NJDLOBGXHYTCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-9-15(10-12,11-16)14(19)17-7-8-18(2)13-5-3-4-6-13/h12-13H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide?
1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80502256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).