5-amino-N-heptan-2-yl-4-methylpentanamide

C13H28N2O — CID 82012192

IUPAC5-amino-N-heptan-2-yl-4-methylpentanamide
SMILESCCCCCC(C)NC(=O)CCC(C)CN
InChIInChI=1S/C13H28N2O/c1-4-5-6-7-12(3)15-13(16)9-8-11(2)10-14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyVTMNHMYUIKODSP-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.45
Rot. Bonds9

About 5-amino-N-heptan-2-yl-4-methylpentanamide

5-amino-N-heptan-2-yl-4-methylpentanamide (PubChem CID 82012192) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-amino-N-heptan-2-yl-4-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-heptan-2-yl-4-methylpentanamide
PubChem CID82012192
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-amino-N-heptan-2-yl-4-methylpentanamide
SMILESCCCCCC(C)NC(=O)CCC(C)CN
InChIInChI=1S/C13H28N2O/c1-4-5-6-7-12(3)15-13(16)9-8-11(2)10-14/h11-12H,4-10,14H2,1-3H3,(H,15,16)
InChIKeyVTMNHMYUIKODSP-UHFFFAOYSA-N
XLogP2.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
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

N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-hexan-2-ylbutanamide
CID 64592038
N-dodecan-2-ylpropanamide
CID 174988669
N-(4-aminobutan-2-yl)octanamide
CID 62087208
5-chloro-N-heptan-2-ylpentanamide
CID 43578895
N-pentan-2-ylundecanamide
CID 173258559
3-amino-N-heptan-2-ylbutanamide
CID 60836862
1-amino-2-methyltetradecan-5-one
CID 116607429
3-ethylsulfanyl-N-heptan-2-ylpropanamide
CID 87001996

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-heptan-2-yl-4-methylpentanamide?
The IUPAC name of 5-amino-N-heptan-2-yl-4-methylpentanamide (CID 82012192) is 5-amino-N-heptan-2-yl-4-methylpentanamide.
What is the SMILES notation for 5-amino-N-heptan-2-yl-4-methylpentanamide?
The canonical SMILES for 5-amino-N-heptan-2-yl-4-methylpentanamide is CCCCCC(C)NC(=O)CCC(C)CN.
What is the InChIKey of 5-amino-N-heptan-2-yl-4-methylpentanamide?
The InChIKey is VTMNHMYUIKODSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-6-7-12(3)15-13(16)9-8-11(2)10-14/h11-12H,4-10,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-N-heptan-2-yl-4-methylpentanamide?
5-amino-N-heptan-2-yl-4-methylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-heptan-2-yl-4-methylpentanamide is sourced from PubChem (CID 82012192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).