1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine

C10H19NO4 — CID 69028218

IUPAC1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine
SMILESC1COC(CNCC2OCCCO2)OC1
InChIInChI=1S/C10H19NO4/c1-3-12-9(13-4-1)7-11-8-10-14-5-2-6-15-10/h9-11H,1-8H2
InChIKeyCVGVZUMHQQXZEJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.10
Rot. Bonds4

About 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine

1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine (PubChem CID 69028218) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine
PubChem CID69028218
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine
SMILESC1COC(CNCC2OCCCO2)OC1
InChIInChI=1S/C10H19NO4/c1-3-12-9(13-4-1)7-11-8-10-14-5-2-6-15-10/h9-11H,1-8H2
InChIKeyCVGVZUMHQQXZEJ-UHFFFAOYSA-N
XLogP0.10
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-(1,3-dioxan-2-ylmethyl)methanamine
CID 102849696
N-(1,3-dioxepan-2-ylmethyl)-2-methylpropan-1-amine
CID 4712138
3-(1,3-dioxan-2-ylmethylamino)propan-1-ol
CID 102849764
N-(1,3-dioxan-2-ylmethyl)cycloheptanamine
CID 102849684
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
2-(1,3-dioxan-2-yl)acetic acid
CID 55299929
N-(1,3-dioxan-2-ylmethyl)aniline
CID 102849692
2-[4-[(1,3-dioxan-2-ylmethylamino)methyl]phenyl]propan-2-ol
CID 126841276
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
methyl 2-(1,3-dioxan-2-yl)acetate
CID 59252297
2-N-(1,3-dioxan-2-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 102849728
1-(1,3-dioxan-2-yl)propan-2-one
CID 12688984

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine (CID 69028218) is 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine is C1COC(CNCC2OCCCO2)OC1.
What is the InChIKey of 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine?
The InChIKey is CVGVZUMHQQXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-12-9(13-4-1)7-11-8-10-14-5-2-6-15-10/h9-11H,1-8H2.
What are the key properties of 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine?
1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine has a molecular weight of 217.26 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-2-yl)-N-(1,3-dioxan-2-ylmethyl)methanamine is sourced from PubChem (CID 69028218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).