5-amino-2-methyl-N-(7-methyloctyl)pentanamide

C15H32N2O — CID 104684762

IUPAC5-amino-2-methyl-N-(7-methyloctyl)pentanamide
SMILESCC(C)CCCCCCNC(=O)C(C)CCCN
InChIInChI=1S/C15H32N2O/c1-13(2)9-6-4-5-7-12-17-15(18)14(3)10-8-11-16/h13-14H,4-12,16H2,1-3H3,(H,17,18)
InChIKeyOHWXTJFVOWGKLI-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.08
Rot. Bonds11

About 5-amino-2-methyl-N-(7-methyloctyl)pentanamide

5-amino-2-methyl-N-(7-methyloctyl)pentanamide (PubChem CID 104684762) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(7-methyloctyl)pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(7-methyloctyl)pentanamide
PubChem CID104684762
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name5-amino-2-methyl-N-(7-methyloctyl)pentanamide
SMILESCC(C)CCCCCCNC(=O)C(C)CCCN
InChIInChI=1S/C15H32N2O/c1-13(2)9-6-4-5-7-12-17-15(18)14(3)10-8-11-16/h13-14H,4-12,16H2,1-3H3,(H,17,18)
InChIKeyOHWXTJFVOWGKLI-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 53.08
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

5-amino-2-methyl-N-pentylpentanamide
CID 104683456
5-amino-2-methyl-N-(6-methylsulfanylhexyl)pentanamide
CID 114125400
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
2-methyl-N-nonyldecanamide
CID 141429494
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
7-[(4-amino-2-methylbutanoyl)amino]heptanoic acid
CID 80543842
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
3-(ethylamino)-2-methyl-N-(5-methylhexyl)propanamide
CID 115325261
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
(2S)-N-(5-aminopentyl)-3-methoxy-2-methylpropanamide
CID 170069625
N-(7-aminoheptyl)-2-methylpropanamide
CID 89281092

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(7-methyloctyl)pentanamide?
The IUPAC name of 5-amino-2-methyl-N-(7-methyloctyl)pentanamide (CID 104684762) is 5-amino-2-methyl-N-(7-methyloctyl)pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-(7-methyloctyl)pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-(7-methyloctyl)pentanamide is CC(C)CCCCCCNC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-2-methyl-N-(7-methyloctyl)pentanamide?
The InChIKey is OHWXTJFVOWGKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-13(2)9-6-4-5-7-12-17-15(18)14(3)10-8-11-16/h13-14H,4-12,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-2-methyl-N-(7-methyloctyl)pentanamide?
5-amino-2-methyl-N-(7-methyloctyl)pentanamide has a molecular weight of 256.43 g/mol, XLogP of 3.08, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(7-methyloctyl)pentanamide is sourced from PubChem (CID 104684762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).