2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide

C13H26N2O — CID 103827771

IUPAC2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
SMILESCCCC1(CNC(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-6-13(7-8-13)9-15-11(16)10(14)12(2,3)4/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeySHVBEBYZBVUFKI-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide

2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide (PubChem CID 103827771) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
PubChem CID103827771
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
SMILESCCCC1(CNC(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-5-6-13(7-8-13)9-15-11(16)10(14)12(2,3)4/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeySHVBEBYZBVUFKI-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
CID 114756823
2-amino-N-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylbutanamide
CID 77210747
(2S)-2-amino-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119812179
2-amino-N-[(1-hydroxycycloheptyl)methyl]-3,3-dimethylbutanamide
CID 77056764
(2S)-2-amino-3-methyl-N-[(1-propylcyclopropyl)methyl]pentanamide
CID 103833324
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889
(2S)-2-amino-4-methyl-N-[(1-propylcyclobutyl)methyl]pentanamide
CID 119821752
ethyl N-[(1-propylcyclopropyl)methyl]carbamate
CID 103762312

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide (CID 103827771) is 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide is CCCC1(CNC(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide?
The InChIKey is SHVBEBYZBVUFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-13(7-8-13)9-15-11(16)10(14)12(2,3)4/h10H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide?
2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 103827771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).