3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide

C13H26N2O2 — CID 119777186

IUPAC3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
SMILESCCCN(CC1CCCCO1)C(=O)CC(C)N
InChIInChI=1S/C13H26N2O2/c1-3-7-15(13(16)9-11(2)14)10-12-6-4-5-8-17-12/h11-12H,3-10,14H2,1-2H3
InChIKeyXMKOPAWAYNQPPP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds6

About 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide

3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide (PubChem CID 119777186) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide.

Molecular Properties

Compound Name3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
PubChem CID119777186
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
SMILESCCCN(CC1CCCCO1)C(=O)CC(C)N
InChIInChI=1S/C13H26N2O2/c1-3-7-15(13(16)9-11(2)14)10-12-6-4-5-8-17-12/h11-12H,3-10,14H2,1-2H3
InChIKeyXMKOPAWAYNQPPP-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
CID 119777185
3,4,4-trimethyl-N-(oxan-2-ylmethyl)-N-propylpentanamide
CID 86901393
2-amino-2-(oxan-4-yl)-N-(oxan-2-ylmethyl)-N-propylacetamide
CID 120792434
N-(3-amino-3-sulfanylidenepropyl)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 82103958
3-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 54869247
5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 82850780
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
CID 95344913
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
4-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)pentanamide;hydrochloride
CID 120563456

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide?
The IUPAC name of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide (CID 119777186) is 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide.
What is the SMILES notation for 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide?
The canonical SMILES for 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide is CCCN(CC1CCCCO1)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide?
The InChIKey is XMKOPAWAYNQPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-7-15(13(16)9-11(2)14)10-12-6-4-5-8-17-12/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide?
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide is sourced from PubChem (CID 119777186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).