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

C13H27ClN2O2 — CID 119777185

IUPAC3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
SMILESCCCN(CC1CCCCO1)C(=O)CC(C)N.Cl
InChIInChI=1S/C13H26N2O2.ClH/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;1H
InChIKeyRVUDXFFEEAVFAX-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.95
Rot. Bonds6

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

3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride (PubChem CID 119777185) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
PubChem CID119777185
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
SMILESCCCN(CC1CCCCO1)C(=O)CC(C)N.Cl
InChIInChI=1S/C13H26N2O2.ClH/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;1H
InChIKeyRVUDXFFEEAVFAX-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186
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
4-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)pentanamide;hydrochloride
CID 120563456
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
2-[[(2S)-oxan-2-yl]methyl-propylamino]-N-propan-2-ylacetamide
CID 95344913
ethyl 2-methoxy-3-(oxan-2-yl)propanoate
CID 10727451
(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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride (CID 119777185) is 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride is CCCN(CC1CCCCO1)C(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride?
The InChIKey is RVUDXFFEEAVFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/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;1H.
What are the key properties of 3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride?
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.95, 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;hydrochloride is sourced from PubChem (CID 119777185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).