2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide

C12H24N2O2 — CID 114629813

IUPAC2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
SMILESCCCC(CN)C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-8(7-13)11(16)14-9-6-10(15)12(9,2)3/h8-10,15H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyNDXKKZKQJKPCCR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds5

About 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide

2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide (PubChem CID 114629813) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
PubChem CID114629813
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
SMILESCCCC(CN)C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-4-5-8(7-13)11(16)14-9-6-10(15)12(9,2)3/h8-10,15H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyNDXKKZKQJKPCCR-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 107570804
(2S)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)hexanamide
CID 107146718
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
2-(aminomethyl)-N-(2-methylcyclopropyl)pentanamide
CID 62397144
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
CID 104940467
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide
CID 114629788
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylpentanamide
CID 114629833
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
CID 114629647
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 65225132

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide (CID 114629813) is 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide is CCCC(CN)C(=O)NC1CC(O)C1(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide?
The InChIKey is NDXKKZKQJKPCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-5-8(7-13)11(16)14-9-6-10(15)12(9,2)3/h8-10,15H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide?
2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide is sourced from PubChem (CID 114629813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).