3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine

C9H19NO2 — CID 142644869

IUPAC3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCC1OCCCO1
InChIInChI=1S/C9H19NO2/c1-2-10-6-3-5-9-11-7-4-8-12-9/h9-10H,2-8H2,1H3
InChIKeyQIXTWJCACGXEJA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds5

About 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine

3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine (PubChem CID 142644869) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine
PubChem CID142644869
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine
SMILESCCNCCCC1OCCCO1
InChIInChI=1S/C9H19NO2/c1-2-10-6-3-5-9-11-7-4-8-12-9/h9-10H,2-8H2,1H3
InChIKeyQIXTWJCACGXEJA-UHFFFAOYSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
2-(2-bromoethyl)-1,3-dioxane;pentane
CID 174799971
3-(1,3-dioxan-2-ylmethylamino)propan-1-ol
CID 102849764
5-(1,3-dioxan-2-yl)pentan-2-one
CID 174893387
1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine
CID 69028218
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2-(3-chloropropyl)-1,3-dioxepane
CID 14318108
10-(1,3-dioxan-2-yl)decyl-triethoxysilane
CID 121235674
2-(2-pentylsulfanylethyl)-1,3-dioxane
CID 103912380
2-(1,3-dioxan-2-yl)ethanethiol
CID 6326934

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine?
The IUPAC name of 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine (CID 142644869) is 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine.
What is the SMILES notation for 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine?
The canonical SMILES for 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine is CCNCCCC1OCCCO1.
What is the InChIKey of 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine?
The InChIKey is QIXTWJCACGXEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-10-6-3-5-9-11-7-4-8-12-9/h9-10H,2-8H2,1H3.
What are the key properties of 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine?
3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxan-2-yl)-N-ethylpropan-1-amine is sourced from PubChem (CID 142644869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).