1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine

C10H19NO2 — CID 61023563

IUPAC1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCC(NCC1COCCO1)C1CC1
InChIInChI=1S/C10H19NO2/c1-8(9-2-3-9)11-6-10-7-12-4-5-13-10/h8-11H,2-7H2,1H3
InChIKeySNALCXXZGALLAW-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.79
Rot. Bonds4

About 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine

1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine (PubChem CID 61023563) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
PubChem CID61023563
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCC(NCC1COCCO1)C1CC1
InChIInChI=1S/C10H19NO2/c1-8(9-2-3-9)11-6-10-7-12-4-5-13-10/h8-11H,2-7H2,1H3
InChIKeySNALCXXZGALLAW-UHFFFAOYSA-N
XLogP0.79
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1-(1-propylpiperidin-3-yl)ethanamine
CID 54907830
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
CID 62535870
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
(1S)-1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 97045036
2-(1,4-dioxan-2-ylmethylamino)-N-propylpropanamide
CID 61024472
N-(1,4-dioxan-2-ylmethyl)-1-piperidin-1-ylpropan-2-amine
CID 113408574
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-(1,4-dioxan-2-ylmethyl)propane-2-sulfonamide
CID 61356040
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
CID 167458864
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine (CID 61023563) is 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine is CC(NCC1COCCO1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The InChIKey is SNALCXXZGALLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(9-2-3-9)11-6-10-7-12-4-5-13-10/h8-11H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine?
1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine has a molecular weight of 185.27 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,4-dioxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 61023563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).