5-amino-2-methyl-N-octan-4-ylpentanamide

C14H30N2O — CID 106025739

IUPAC5-amino-2-methyl-N-octan-4-ylpentanamide
SMILESCCCCC(CCC)NC(=O)C(C)CCCN
InChIInChI=1S/C14H30N2O/c1-4-6-10-13(8-5-2)16-14(17)12(3)9-7-11-15/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyKILHIQXGZUFLJH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.84
Rot. Bonds10

About 5-amino-2-methyl-N-octan-4-ylpentanamide

5-amino-2-methyl-N-octan-4-ylpentanamide (PubChem CID 106025739) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 5-amino-2-methyl-N-octan-4-ylpentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-octan-4-ylpentanamide
PubChem CID106025739
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name5-amino-2-methyl-N-octan-4-ylpentanamide
SMILESCCCCC(CCC)NC(=O)C(C)CCCN
InChIInChI=1S/C14H30N2O/c1-4-6-10-13(8-5-2)16-14(17)12(3)9-7-11-15/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyKILHIQXGZUFLJH-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
N-(1,3-dihydroxypropan-2-yl)-2-methylhexanamide
CID 154697432
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
(2R)-2-[(5-amino-2-methylpentanoyl)amino]propanoic acid
CID 103868754
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
2-methyl-N-propan-2-ylhexanamide
CID 19752015
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 104685369
2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
CID 134332050
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-octan-4-ylpentanamide?
The IUPAC name of 5-amino-2-methyl-N-octan-4-ylpentanamide (CID 106025739) is 5-amino-2-methyl-N-octan-4-ylpentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-octan-4-ylpentanamide?
The canonical SMILES for 5-amino-2-methyl-N-octan-4-ylpentanamide is CCCCC(CCC)NC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-2-methyl-N-octan-4-ylpentanamide?
The InChIKey is KILHIQXGZUFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-10-13(8-5-2)16-14(17)12(3)9-7-11-15/h12-13H,4-11,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-2-methyl-N-octan-4-ylpentanamide?
5-amino-2-methyl-N-octan-4-ylpentanamide has a molecular weight of 242.41 g/mol, XLogP of 2.84, 10 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-octan-4-ylpentanamide is sourced from PubChem (CID 106025739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).