N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide

C13H26N2O — CID 165448067

IUPACN-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC[C@@H]1CC[C@H](N)C1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(13(2,3)4)12(16)15-8-10-5-6-11(14)7-10/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t9?,10-,11+/m1/s1
InChIKeyGPZFOAUHTMXWPL-ZOCYIJKUSA-N
MW226.36 g/mol
LogP1.91
Rot. Bonds3

About N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide

N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide (PubChem CID 165448067) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
PubChem CID165448067
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide
SMILESCC(C(=O)NC[C@@H]1CC[C@H](N)C1)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9(13(2,3)4)12(16)15-8-10-5-6-11(14)7-10/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t9?,10-,11+/m1/s1
InChIKeyGPZFOAUHTMXWPL-ZOCYIJKUSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,3,3-trimethylbutylamino)methyl]cyclopentan-1-amine
CID 83144240
N-[(4-aminocyclohexyl)methyl]-3,4,4-trimethylpentanamide
CID 106124369
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-[(3-aminocyclopentyl)methyl]-2-cyclopropylacetamide
CID 83619287
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
3-[[(3-methyl-2-propan-2-ylbutyl)amino]methyl]cyclopentan-1-amine
CID 102913546
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
N-[3-(aminomethyl)cyclobutyl]-2,3,3-trimethylbutanamide
CID 165469689
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbutanamide
CID 106121936
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
N-[(3-aminocyclopentyl)methyl]-3-sulfanylpropanamide
CID 123690704
(2R)-2-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337815

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide?
The IUPAC name of N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide (CID 165448067) is N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide.
What is the SMILES notation for N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide?
The canonical SMILES for N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide is CC(C(=O)NC[C@@H]1CC[C@H](N)C1)C(C)(C)C.
What is the InChIKey of N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide?
The InChIKey is GPZFOAUHTMXWPL-ZOCYIJKUSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(13(2,3)4)12(16)15-8-10-5-6-11(14)7-10/h9-11H,5-8,14H2,1-4H3,(H,15,16)/t9?,10-,11+/m1/s1.
What are the key properties of N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide?
N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-3-aminocyclopentyl]methyl]-2,3,3-trimethylbutanamide is sourced from PubChem (CID 165448067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).