3-amino-N-heptan-2-ylbutanamide

C11H24N2O — CID 60836862

IUPAC3-amino-N-heptan-2-ylbutanamide
SMILESCCCCCC(C)NC(=O)CC(C)N
InChIInChI=1S/C11H24N2O/c1-4-5-6-7-10(3)13-11(14)8-9(2)12/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeySOBQFXJIPVSHLL-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.81
Rot. Bonds7

About 3-amino-N-heptan-2-ylbutanamide

3-amino-N-heptan-2-ylbutanamide (PubChem CID 60836862) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-amino-N-heptan-2-ylbutanamide.

Molecular Properties

Compound Name3-amino-N-heptan-2-ylbutanamide
PubChem CID60836862
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-amino-N-heptan-2-ylbutanamide
SMILESCCCCCC(C)NC(=O)CC(C)N
InChIInChI=1S/C11H24N2O/c1-4-5-6-7-10(3)13-11(14)8-9(2)12/h9-10H,4-8,12H2,1-3H3,(H,13,14)
InChIKeySOBQFXJIPVSHLL-UHFFFAOYSA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.81
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

3-amino-N-[(2S)-butan-2-yl]butanamide
CID 142118681
N-dodecan-2-ylpropanamide
CID 174988669
3-hydroxy-N-octadecan-2-ylhexadecanamide
CID 174499474
6-(3-aminobutanoylamino)-2-methylheptanoic acid
CID 65286233
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
3-(3-aminobutanoylamino)butanoic acid
CID 61160048
2-chloro-N-[(2R)-octan-2-yl]acetamide
CID 7131842
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192
3-amino-3-methyl-N-octan-2-ylbutanamide
CID 64684049
N-(6-aminohexan-2-yl)octanamide
CID 123172105

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-heptan-2-ylbutanamide?
The IUPAC name of 3-amino-N-heptan-2-ylbutanamide (CID 60836862) is 3-amino-N-heptan-2-ylbutanamide.
What is the SMILES notation for 3-amino-N-heptan-2-ylbutanamide?
The canonical SMILES for 3-amino-N-heptan-2-ylbutanamide is CCCCCC(C)NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-heptan-2-ylbutanamide?
The InChIKey is SOBQFXJIPVSHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-5-6-7-10(3)13-11(14)8-9(2)12/h9-10H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 3-amino-N-heptan-2-ylbutanamide?
3-amino-N-heptan-2-ylbutanamide has a molecular weight of 200.33 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-heptan-2-ylbutanamide is sourced from PubChem (CID 60836862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).