3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide

C12H26N2O2 — CID 106255599

IUPAC3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)C(C)N
InChIInChI=1S/C12H26N2O2/c1-5-12(6-2,8-15)7-14-11(16)9(3)10(4)13/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyANVSGWJWPNPCES-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds7

About 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide

3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide (PubChem CID 106255599) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
PubChem CID106255599
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide
SMILESCCC(CC)(CO)CNC(=O)C(C)C(C)N
InChIInChI=1S/C12H26N2O2/c1-5-12(6-2,8-15)7-14-11(16)9(3)10(4)13/h9-10,15H,5-8,13H2,1-4H3,(H,14,16)
InChIKeyANVSGWJWPNPCES-UHFFFAOYSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,2-diethyl-4-hydroxybutyl)propanamide
CID 119343168
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,2-difluoroacetamide
CID 107168157
2-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylbutanamide
CID 114164878
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxan-4-yl)propanamide
CID 109481380
4-amino-N-(2,2-diethyl-4-hydroxybutyl)pentanamide;hydrochloride
CID 120563952
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(3S)-3-(aminomethyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methylhexanamide
CID 106255431
3-amino-N-(2-ethylsulfonylethyl)-2-methylbutanamide
CID 103581021
3-(hydroxymethyl)-3-[(sulfamoylamino)methyl]pentane
CID 103844834
2-amino-N-(2,2-diethyl-4-hydroxybutyl)acetamide
CID 119343174
2-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]cyclopentane-1-carboxamide
CID 114164712
methyl 2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-3-methylpentanoate
CID 81412380

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide?
The IUPAC name of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide (CID 106255599) is 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide is CCC(CC)(CO)CNC(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide?
The InChIKey is ANVSGWJWPNPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-12(6-2,8-15)7-14-11(16)9(3)10(4)13/h9-10,15H,5-8,13H2,1-4H3,(H,14,16).
What are the key properties of 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide?
3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylbutanamide is sourced from PubChem (CID 106255599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).