N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride

C14H29ClN2O3 — CID 119666787

IUPACN-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCOC1CCOCC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-2-3-4-12(11-15)16-14(17)7-10-19-13-5-8-18-9-6-13;/h12-13H,2-11,15H2,1H3,(H,16,17);1H
InChIKeyWLOAFXKZGXSTTA-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.63
Rot. Bonds9

About N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride

N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride (PubChem CID 119666787) has the molecular formula C14H29ClN2O3 and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride
PubChem CID119666787
Molecular FormulaC14H29ClN2O3
Molecular Weight308.85 g/mol
Exact Mass308.19
IUPAC NameN-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride
SMILESCCCCC(CN)NC(=O)CCOC1CCOCC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-2-3-4-12(11-15)16-14(17)7-10-19-13-5-8-18-9-6-13;/h12-13H,2-11,15H2,1H3,(H,16,17);1H
InChIKeyWLOAFXKZGXSTTA-UHFFFAOYSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-3-propoxypropanamide
CID 80697621
2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119348600
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119943226
N-[3-(aminomethyl)pentan-3-yl]-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119570341
N-(1-aminohexan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080965
N'-(1-aminohexan-2-yl)-N-ethylpentanediamide;hydrochloride
CID 119668224
N-(1-aminohexan-2-yl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119667872
2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
CID 63875636
N-(1-aminohexan-2-yl)-3-(4-fluorophenoxy)propanamide
CID 119665882
N-(1-aminohexan-2-yl)cyclohexanecarboxamide
CID 80697500
N-(1-aminohexan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119668746
N-(1-aminopentan-2-yl)-3-propoxypropanamide
CID 65191210

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride (CID 119666787) is N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride is CCCCC(CN)NC(=O)CCOC1CCOCC1.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride?
The InChIKey is WLOAFXKZGXSTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.ClH/c1-2-3-4-12(11-15)16-14(17)7-10-19-13-5-8-18-9-6-13;/h12-13H,2-11,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride?
N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-3-(oxan-4-yloxy)propanamide;hydrochloride is sourced from PubChem (CID 119666787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).