6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide

C14H28N2O2 — CID 114629788

IUPAC6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-9(6-5-7-10(2)15)13(18)16-11-8-12(17)14(11,3)4/h9-12,17H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyUQPWPUAABBYQPJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.42
Rot. Bonds6

About 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide

6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide (PubChem CID 114629788) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide.

Molecular Properties

Compound Name6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide
PubChem CID114629788
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide
SMILESCC(N)CCCC(C)C(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-9(6-5-7-10(2)15)13(18)16-11-8-12(17)14(11,3)4/h9-12,17H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyUQPWPUAABBYQPJ-UHFFFAOYSA-N
XLogP1.42
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,5S)-5-Amino-4-hydroxy-2,7-dimethyl-octanoic acid butylamide
CID 44287451
N-(3-hydroxy-4,4-dimethylpentyl)cyclobutanecarboxamide
CID 71787567
N-[1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-7-oxoazepane-2-carboxamide
CID 122153797
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-oxocyclohexane-1-carboxamide
CID 126811979
Statine methylbutylamide
CID 129737170
(2R,3R,4S)-3-hydroxy-2,4,6-trimethyl-N-[(2R)-3-oxobutan-2-yl]heptanamide
CID 134857754
4,4-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide
CID 113610307
3,3-difluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)cyclohexane-1-carboxamide
CID 114226444
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114630964
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114631228
(2R)-2-amino-N-(3-hydroxy-2,2,4,4-tetramethylcyclobutyl)pentanamide
CID 14723635
4-amino-3-hydroxy-6-methyl-N(2-methylbutyl)-heptanamide
CID 15594038

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide?
The IUPAC name of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide (CID 114629788) is 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide.
What is the SMILES notation for 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide?
The canonical SMILES for 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide is CC(N)CCCC(C)C(=O)NC1CC(O)C1(C)C.
What is the InChIKey of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide?
The InChIKey is UQPWPUAABBYQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9(6-5-7-10(2)15)13(18)16-11-8-12(17)14(11,3)4/h9-12,17H,5-8,15H2,1-4H3,(H,16,18).
What are the key properties of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide?
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide has a molecular weight of 256.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide is sourced from PubChem (CID 114629788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).