(2R)-2-amino-N-heptan-2-ylpropanamide

C10H22N2O — CID 78972371

IUPAC(2R)-2-amino-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)[C@@H](C)N
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-8(2)12-10(13)9(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyRWRQCWIFYLCTJL-YGPZHTELSA-N
MW186.30 g/mol
LogP1.42
Rot. Bonds6

About (2R)-2-amino-N-heptan-2-ylpropanamide

(2R)-2-amino-N-heptan-2-ylpropanamide (PubChem CID 78972371) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2R)-2-amino-N-heptan-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-heptan-2-ylpropanamide
PubChem CID78972371
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2R)-2-amino-N-heptan-2-ylpropanamide
SMILESCCCCCC(C)NC(=O)[C@@H](C)N
InChIInChI=1S/C10H22N2O/c1-4-5-6-7-8(2)12-10(13)9(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m1/s1
InChIKeyRWRQCWIFYLCTJL-YGPZHTELSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.42
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

2-amino-N-octan-2-ylbutanamide
CID 43711439
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
CID 21340416
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2S)-2-amino-N-[5-(diethylamino)pentan-2-yl]propanamide
CID 61147751
3-amino-N-heptan-2-ylbutanamide
CID 60836862
(2S)-2-amino-N-(5-methylhexan-2-yl)propanamide
CID 61146482
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-heptan-2-ylpropanamide?
The IUPAC name of (2R)-2-amino-N-heptan-2-ylpropanamide (CID 78972371) is (2R)-2-amino-N-heptan-2-ylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-heptan-2-ylpropanamide?
The canonical SMILES for (2R)-2-amino-N-heptan-2-ylpropanamide is CCCCCC(C)NC(=O)[C@@H](C)N.
What is the InChIKey of (2R)-2-amino-N-heptan-2-ylpropanamide?
The InChIKey is RWRQCWIFYLCTJL-YGPZHTELSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-6-7-8(2)12-10(13)9(3)11/h8-9H,4-7,11H2,1-3H3,(H,12,13)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-amino-N-heptan-2-ylpropanamide?
(2R)-2-amino-N-heptan-2-ylpropanamide has a molecular weight of 186.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-heptan-2-ylpropanamide is sourced from PubChem (CID 78972371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).