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

C14H28N2O — CID 114137096

IUPAC(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCC1CCCC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)12(15)13(17)16-10-6-9-11-7-4-5-8-11/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyNDHDIWAKNTXCGG-LBPRGKRZSA-N
MW240.39 g/mol
LogP2.45
Rot. Bonds5

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

(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide (PubChem CID 114137096) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
PubChem CID114137096
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)NCCCC1CCCC1
InChIInChI=1S/C14H28N2O/c1-14(2,3)12(15)13(17)16-10-6-9-11-7-4-5-8-11/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyNDHDIWAKNTXCGG-LBPRGKRZSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.45
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-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
(2S)-2-amino-N-(cyclooctylmethyl)-3,3-dimethylbutanamide;hydrochloride
CID 119741871
(2S)-2-amino-N-(3-cyclopentylpropyl)-4-methylpentanamide;hydrochloride
CID 119724237
2-amino-N-(3-cyclohexylpropyl)-3-methylpentanamide
CID 119724279
2-amino-N-(2-cyclopentyloxyethyl)-3,3-dimethylbutanamide
CID 77009240
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
3-amino-N-(3-cyclopentylpropyl)-2-methoxypropanamide
CID 106114395
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide (CID 114137096) is (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)NCCCC1CCCC1.
What is the InChIKey of (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide?
The InChIKey is NDHDIWAKNTXCGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O/c1-14(2,3)12(15)13(17)16-10-6-9-11-7-4-5-8-11/h11-12H,4-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide has a molecular weight of 240.39 g/mol, XLogP of 2.45, 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-cyclopentylpropyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 114137096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).