(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide

C13H26N2O — CID 104903070

IUPAC(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
SMILESCCCCN(C(=O)[C@H](N)CC(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-4-5-8-15(11-6-7-11)13(16)12(14)9-10(2)3/h10-12H,4-9,14H2,1-3H3/t12-/m1/s1
InChIKeyZSDAMTZDHILNHT-GFCCVEGCSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds7

About (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide

(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide (PubChem CID 104903070) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
PubChem CID104903070
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide
SMILESCCCCN(C(=O)[C@H](N)CC(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-4-5-8-15(11-6-7-11)13(16)12(14)9-10(2)3/h10-12H,4-9,14H2,1-3H3/t12-/m1/s1
InChIKeyZSDAMTZDHILNHT-GFCCVEGCSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-cyclopropyl-4-methyl-N-propylpentanamide
CID 43270485
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)-4-methylpentanamide
CID 61154056
2-amino-N-butyl-N-cyclopropyl-3-methoxypropanamide
CID 81082508
2-amino-N-butyl-N-cyclopropyl-3-methylbutanamide
CID 60944592
(2S)-2-amino-N-cyclopropyl-N-propylhexanamide
CID 103950188
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-cyclopropylamino]acetate
CID 61164395
(2S)-2-amino-N-cyclopropyl-N-(2-hydroxyethyl)hexanamide
CID 103951026
2-amino-N-cyclohexyl-N-ethyl-4-methylpentanamide;hydrochloride
CID 71898432
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
CID 103831497
2-amino-N-(cyclohexylmethyl)-N-cyclopropyl-4-methylpentanamide
CID 54872866
2-amino-N-[2-(dimethylamino)ethyl]-4-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60954174
(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 61165075

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide (CID 104903070) is (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide is CCCCN(C(=O)[C@H](N)CC(C)C)C1CC1.
What is the InChIKey of (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide?
The InChIKey is ZSDAMTZDHILNHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-5-8-15(11-6-7-11)13(16)12(14)9-10(2)3/h10-12H,4-9,14H2,1-3H3/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide?
(2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide has a molecular weight of 226.36 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-butyl-N-cyclopropyl-4-methylpentanamide is sourced from PubChem (CID 104903070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).