2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide

C13H26N2O3 — CID 114170262

IUPAC2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
SMILESCCC(CC)(CN)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-12(4-2,9-14)11(17)15-13(10-16)5-7-18-8-6-13/h16H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyMJRNVHPQWWSTTI-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide

2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide (PubChem CID 114170262) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
PubChem CID114170262
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
SMILESCCC(CC)(CN)C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C13H26N2O3/c1-3-12(4-2,9-14)11(17)15-13(10-16)5-7-18-8-6-13/h16H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyMJRNVHPQWWSTTI-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
CID 106298541
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
2-(aminomethyl)-2-ethyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 113309032
2-(aminomethyl)-2-ethyl-N-(1-methylcyclopentyl)butanamide
CID 64688429
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 106298521
N-[3-(hydroxymethyl)oxolan-3-yl]-2,2-dimethylpropanamide
CID 130949339
2-(aminomethyl)-2-ethyl-N-[(1-ethylcyclopropyl)methyl]butanamide
CID 103840339
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
CID 114170265
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106297187
7-amino-N-[4-(hydroxymethyl)oxan-4-yl]heptanamide
CID 106298777
5-[[4-(hydroxymethyl)oxan-4-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 114169999
N-[1-(hydroxymethyl)cyclopentyl]-2,2-dimethylbutanamide
CID 62679590

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide (CID 114170262) is 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide is CCC(CC)(CN)C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
The InChIKey is MJRNVHPQWWSTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-12(4-2,9-14)11(17)15-13(10-16)5-7-18-8-6-13/h16H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide?
2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]butanamide is sourced from PubChem (CID 114170262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).