(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide

C12H24N2O — CID 104876667

IUPAC(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCC1CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10(13)11(15)14-8-4-5-9-6-7-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyAHCQHPVJTZIEEZ-JTQLQIEISA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds5

About (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide (PubChem CID 104876667) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
PubChem CID104876667
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCC1CC1
InChIInChI=1S/C12H24N2O/c1-12(2,3)10(13)11(15)14-8-4-5-9-6-7-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyAHCQHPVJTZIEEZ-JTQLQIEISA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
3-amino-N-(3-cyclopropylpropyl)butanamide
CID 115740565
(2R)-2-amino-N-(3-cyclopropylpropyl)-4-methylpentanamide
CID 104904077
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide (CID 104876667) is (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NCCCC1CC1.
What is the InChIKey of (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide?
The InChIKey is AHCQHPVJTZIEEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(2,3)10(13)11(15)14-8-4-5-9-6-7-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 104876667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).