2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide

C12H26N2O2 — CID 115739679

IUPAC2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
SMILESCOC(C)(C)CNC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-10(7-13)11(15)14-8-12(3,4)16-5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyOAJSPYMPIBHRQE-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.15
Rot. Bonds7

About 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide

2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide (PubChem CID 115739679) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
PubChem CID115739679
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
SMILESCOC(C)(C)CNC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)6-10(7-13)11(15)14-8-12(3,4)16-5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKeyOAJSPYMPIBHRQE-UHFFFAOYSA-N
XLogP1.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 115738674
3-amino-4-[(2-methoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 104761265
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436421
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
CID 113410027
2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
CID 115739021
2-(aminomethyl)-N-(1-amino-2-methyl-1-oxobutan-2-yl)-4-methylpentanamide
CID 112738158
(3S)-3-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]-5-methylhexanoic acid
CID 104764025
2-[[(3-methoxy-3-methylbutanoyl)amino]methyl]-4-methylpentanoic acid
CID 103019000
3-amino-N-(2-ethoxy-2-methylpropyl)-2-methylpropanamide
CID 114941574

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide (CID 115739679) is 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide is COC(C)(C)CNC(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide?
The InChIKey is OAJSPYMPIBHRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)6-10(7-13)11(15)14-8-12(3,4)16-5/h9-10H,6-8,13H2,1-5H3,(H,14,15).
What are the key properties of 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide?
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide has a molecular weight of 230.35 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide is sourced from PubChem (CID 115739679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).