N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine

C9H19NO2 — CID 130677377

IUPACN-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CCOCO1
InChIInChI=1S/C9H19NO2/c1-8(2)10(3)6-9-4-5-11-7-12-9/h8-9H,4-7H2,1-3H3
InChIKeyCBVVDFHRNWOZMX-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.09
Rot. Bonds3

About N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine

N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine (PubChem CID 130677377) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine
PubChem CID130677377
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine
SMILESCC(C)N(C)CC1CCOCO1
InChIInChI=1S/C9H19NO2/c1-8(2)10(3)6-9-4-5-11-7-12-9/h8-9H,4-7H2,1-3H3
InChIKeyCBVVDFHRNWOZMX-UHFFFAOYSA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
2-(1,3-dioxan-4-ylmethyl)-1,1-dimethylhydrazine
CID 83015082
1-[1,3-dioxan-4-ylmethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62015764
N-[[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methyl]-N-methylpropan-2-amine
CID 94435022
ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate
CID 55208525
N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine
CID 60806783
N-methyl-N-(oxetan-3-ylmethyl)propan-2-amine
CID 58519664
N-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)propan-2-amine;hydrochloride
CID 154776322
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine
CID 158109886
1-[1-(1,3-dioxan-4-ylmethyl)piperidin-4-yl]ethanamine
CID 63596930
N-(1,3-dioxan-4-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 81101810

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine (CID 130677377) is N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine is CC(C)N(C)CC1CCOCO1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine?
The InChIKey is CBVVDFHRNWOZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)10(3)6-9-4-5-11-7-12-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine?
N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine has a molecular weight of 173.26 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine is sourced from PubChem (CID 130677377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).