2-(aminomethyl)-N-(7-methyloctyl)butanamide

C14H30N2O — CID 65229476

IUPAC2-(aminomethyl)-N-(7-methyloctyl)butanamide
SMILESCCC(CN)C(=O)NCCCCCCC(C)C
InChIInChI=1S/C14H30N2O/c1-4-13(11-15)14(17)16-10-8-6-5-7-9-12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyULVYEOLKPWGZLB-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.69
Rot. Bonds10

About 2-(aminomethyl)-N-(7-methyloctyl)butanamide

2-(aminomethyl)-N-(7-methyloctyl)butanamide (PubChem CID 65229476) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(7-methyloctyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(7-methyloctyl)butanamide
PubChem CID65229476
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(aminomethyl)-N-(7-methyloctyl)butanamide
SMILESCCC(CN)C(=O)NCCCCCCC(C)C
InChIInChI=1S/C14H30N2O/c1-4-13(11-15)14(17)16-10-8-6-5-7-9-12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,17)
InChIKeyULVYEOLKPWGZLB-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
2-(aminomethyl)-N-(3-aminopropyl)butanamide
CID 65229428
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
3-(aminomethyl)-N-(7-methyloctyl)pentanamide
CID 81086572
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
2-amino-N-(5-methylhexyl)pentanamide
CID 81433782
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-ethyl-N-undecylpentanamide
CID 160695439
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(7-methyloctyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(7-methyloctyl)butanamide (CID 65229476) is 2-(aminomethyl)-N-(7-methyloctyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(7-methyloctyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(7-methyloctyl)butanamide is CCC(CN)C(=O)NCCCCCCC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(7-methyloctyl)butanamide?
The InChIKey is ULVYEOLKPWGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-13(11-15)14(17)16-10-8-6-5-7-9-12(2)3/h12-13H,4-11,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(7-methyloctyl)butanamide?
2-(aminomethyl)-N-(7-methyloctyl)butanamide has a molecular weight of 242.41 g/mol, XLogP of 2.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(7-methyloctyl)butanamide is sourced from PubChem (CID 65229476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).