2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

C12H26N2O2 — CID 79389818

IUPAC2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCN(CC(C)(C)O)C(=O)C(CN)C(C)C
InChIInChI=1S/C12H26N2O2/c1-6-14(8-12(4,5)16)11(15)10(7-13)9(2)3/h9-10,16H,6-8,13H2,1-5H3
InChIKeyNMDUUPXDNWEAMJ-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.84
Rot. Bonds6

About 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide

2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (PubChem CID 79389818) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
PubChem CID79389818
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCCN(CC(C)(C)O)C(=O)C(CN)C(C)C
InChIInChI=1S/C12H26N2O2/c1-6-14(8-12(4,5)16)11(15)10(7-13)9(2)3/h9-10,16H,6-8,13H2,1-5H3
InChIKeyNMDUUPXDNWEAMJ-UHFFFAOYSA-N
XLogP0.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(carbamoylamino)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387560
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 79389720
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(methylamino)propanamide
CID 79378283
N-ethyl-2-ethylsulfanyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 111596787
(2R)-2-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 107570081
2-acetamido-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79382095
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybutanamide
CID 103156201
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-phenylsulfanylpropanamide
CID 111596437
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 65227189
3-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79387577

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide (CID 79389818) is 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is CCN(CC(C)(C)O)C(=O)C(CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
The InChIKey is NMDUUPXDNWEAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-6-14(8-12(4,5)16)11(15)10(7-13)9(2)3/h9-10,16H,6-8,13H2,1-5H3.
What are the key properties of 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide?
2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide is sourced from PubChem (CID 79389818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).