2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide

C12H24N2O2 — CID 114756823

IUPAC2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)9(13)10(16)14-8-12(4-5-12)6-7-15/h9,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyINUDUAPDBASPLQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds5

About 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide

2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide (PubChem CID 114756823) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
PubChem CID114756823
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC1(CCO)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)9(13)10(16)14-8-12(4-5-12)6-7-15/h9,15H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyINUDUAPDBASPLQ-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

2-amino-3,3-dimethyl-N-[(1-propylcyclopropyl)methyl]butanamide
CID 103827771
(2R)-2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-methylbutanamide
CID 104969427
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
2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
CID 114756197
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
(2S)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3,3-dimethylbutanamide
CID 105417333
(2S)-2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
CID 58124625
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide
CID 119801889
(2S)-2-amino-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119801888
(2R)-N-(1-adamantylmethyl)-2-amino-3,3-dimethylbutanamide
CID 103929652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide (CID 114756823) is 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCC1(CCO)CC1.
What is the InChIKey of 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide?
The InChIKey is INUDUAPDBASPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)9(13)10(16)14-8-12(4-5-12)6-7-15/h9,15H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide?
2-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide 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-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 114756823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).