(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide

C13H29N3O — CID 103813236

IUPAC(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-7-12(14)13(17)15-8-9-16(10(2)3)11(4)5/h10-12H,6-9,14H2,1-5H3,(H,15,17)/t12-/m1/s1
InChIKeyXOOMUUQWABAWOQ-GFCCVEGCSA-N
MW243.39 g/mol
LogP1.35
Rot. Bonds8

About (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide

(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide (PubChem CID 103813236) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
PubChem CID103813236
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
SMILESCCC[C@@H](N)C(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H29N3O/c1-6-7-12(14)13(17)15-8-9-16(10(2)3)11(4)5/h10-12H,6-9,14H2,1-5H3,(H,15,17)/t12-/m1/s1
InChIKeyXOOMUUQWABAWOQ-GFCCVEGCSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-5-methoxypentanamide
CID 81081228
2-amino-N-propylpentanamide
CID 43649977
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
(2S)-2-amino-N-(2-hydroxyethyl)pentanamide
CID 89064333
(2R)-2-amino-N-butylpentanamide
CID 82668431
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
2-amino-N-[2-(propan-2-ylsulfamoyl)ethyl]pentanamide
CID 119309225
2-amino-N-(3,3-dimethylbutyl)pentanamide
CID 112687728
5-[[(2R)-2-aminopentanoyl]amino]-2-methylpentanoic acid
CID 103870686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
The IUPAC name of (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide (CID 103813236) is (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide is CCC[C@@H](N)C(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
The InChIKey is XOOMUUQWABAWOQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H29N3O/c1-6-7-12(14)13(17)15-8-9-16(10(2)3)11(4)5/h10-12H,6-9,14H2,1-5H3,(H,15,17)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide?
(2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide has a molecular weight of 243.39 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide is sourced from PubChem (CID 103813236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).