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

C12H26N2O — CID 103461469

IUPAC3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(C)CC
InChIInChI=1S/C12H26N2O/c1-5-10(8-13)7-11(15)14-9-12(3,4)6-2/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyKOHIQPSMFQQCTG-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.91
Rot. Bonds7

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

3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide (PubChem CID 103461469) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
PubChem CID103461469
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(C)(C)CC
InChIInChI=1S/C12H26N2O/c1-5-10(8-13)7-11(15)14-9-12(3,4)6-2/h10H,5-9,13H2,1-4H3,(H,14,15)
InChIKeyKOHIQPSMFQQCTG-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 81079509
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
CID 81080690
2-[[3-(aminomethyl)pentanoylamino]methyl]-2-ethylbutanoic acid
CID 113308612
3-(aminomethyl)-N-(2-hydroxy-4-methoxy-2-methylbutyl)pentanamide
CID 106254861
3-(aminomethyl)-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 81086850
3-(aminomethyl)-N-[2-(carbamoylamino)ethyl]pentanamide
CID 83110778
3-(aminomethyl)-N-butylpentanamide
CID 81071551
3-(aminomethyl)pentanehydrazide
CID 81079841
3-(aminomethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pentanamide
CID 81071031
3-(aminomethyl)-N-(2-ethyl-4-hydroxybutyl)pentanamide
CID 81080103
3-[3-(aminomethyl)pentanoylamino]propanoic acid
CID 81086548
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide (CID 103461469) is 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide is CCC(CN)CC(=O)NCC(C)(C)CC.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide?
The InChIKey is KOHIQPSMFQQCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-10(8-13)7-11(15)14-9-12(3,4)6-2/h10H,5-9,13H2,1-4H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide?
3-(aminomethyl)-N-(2,2-dimethylbutyl)pentanamide has a molecular weight of 214.35 g/mol, XLogP of 1.91, 7 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-dimethylbutyl)pentanamide is sourced from PubChem (CID 103461469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).