3-amino-3-methyl-N-(7-methyloctyl)butanamide

C14H30N2O — CID 64677184

IUPAC3-amino-3-methyl-N-(7-methyloctyl)butanamide
SMILESCC(C)CCCCCCNC(=O)CC(C)(C)N
InChIInChI=1S/C14H30N2O/c1-12(2)9-7-5-6-8-10-16-13(17)11-14(3,4)15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyAPOATCPUSYJEOH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.84
Rot. Bonds9

About 3-amino-3-methyl-N-(7-methyloctyl)butanamide

3-amino-3-methyl-N-(7-methyloctyl)butanamide (PubChem CID 64677184) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-amino-3-methyl-N-(7-methyloctyl)butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-(7-methyloctyl)butanamide
PubChem CID64677184
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-amino-3-methyl-N-(7-methyloctyl)butanamide
SMILESCC(C)CCCCCCNC(=O)CC(C)(C)N
InChIInChI=1S/C14H30N2O/c1-12(2)9-7-5-6-8-10-16-13(17)11-14(3,4)15/h12H,5-11,15H2,1-4H3,(H,16,17)
InChIKeyAPOATCPUSYJEOH-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
3-amino-2,2,3-trimethyl-N-(7-methyloctyl)butanamide
CID 65269830
6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
CID 64677557
2-hydroxy-N-(7-methyloctyl)acetamide
CID 134467211
3-amino-3-methyl-N-(6-methylheptan-2-yl)butanamide
CID 64676802
2-(methylamino)-N-(8-methylnonyl)acetamide
CID 170791103
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
2-methyl-N-(6-methylheptyl)propanamide
CID 139441078

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-(7-methyloctyl)butanamide?
The IUPAC name of 3-amino-3-methyl-N-(7-methyloctyl)butanamide (CID 64677184) is 3-amino-3-methyl-N-(7-methyloctyl)butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-(7-methyloctyl)butanamide?
The canonical SMILES for 3-amino-3-methyl-N-(7-methyloctyl)butanamide is CC(C)CCCCCCNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-(7-methyloctyl)butanamide?
The InChIKey is APOATCPUSYJEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)9-7-5-6-8-10-16-13(17)11-14(3,4)15/h12H,5-11,15H2,1-4H3,(H,16,17).
What are the key properties of 3-amino-3-methyl-N-(7-methyloctyl)butanamide?
3-amino-3-methyl-N-(7-methyloctyl)butanamide has a molecular weight of 242.41 g/mol, XLogP of 2.84, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-(7-methyloctyl)butanamide is sourced from PubChem (CID 64677184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).