3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide

C15H32N2O — CID 81080690

IUPAC3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
SMILESCCCCCC(C)(C)CNC(=O)CC(CC)CN
InChIInChI=1S/C15H32N2O/c1-5-7-8-9-15(3,4)12-17-14(18)10-13(6-2)11-16/h13H,5-12,16H2,1-4H3,(H,17,18)
InChIKeyJQGUVGJIRONYBT-UHFFFAOYSA-N
MW256.43 g/mol
LogP3.08
Rot. Bonds10

About 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide

3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide (PubChem CID 81080690) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
PubChem CID81080690
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
SMILESCCCCCC(C)(C)CNC(=O)CC(CC)CN
InChIInChI=1S/C15H32N2O/c1-5-7-8-9-15(3,4)12-17-14(18)10-13(6-2)11-16/h13H,5-12,16H2,1-4H3,(H,17,18)
InChIKeyJQGUVGJIRONYBT-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
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

3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
CID 103461469
3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
(3S)-3-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)-5-methylhexanamide
CID 114150065
N-(4-amino-2,2-dimethylbutyl)pentanamide
CID 106139700
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
CID 80544365
3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 81086850
3-(aminomethyl)-N-(4-amino-4-oxobutyl)pentanamide
CID 81075818

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide (CID 81080690) is 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide is CCCCCC(C)(C)CNC(=O)CC(CC)CN.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide?
The InChIKey is JQGUVGJIRONYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-7-8-9-15(3,4)12-17-14(18)10-13(6-2)11-16/h13H,5-12,16H2,1-4H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide?
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide has a molecular weight of 256.43 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide is sourced from PubChem (CID 81080690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).