3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine

C14H29NO3 — CID 63712799

IUPAC3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCCOC(CCN(C)CC1CCOCC1)OCC
InChIInChI=1S/C14H29NO3/c1-4-17-14(18-5-2)6-9-15(3)12-13-7-10-16-11-8-13/h13-14H,4-12H2,1-3H3
InChIKeyOWNQNMLJRJTNCI-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.13
Rot. Bonds9

About 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine

3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine (PubChem CID 63712799) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
PubChem CID63712799
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine
SMILESCCOC(CCN(C)CC1CCOCC1)OCC
InChIInChI=1S/C14H29NO3/c1-4-17-14(18-5-2)6-9-15(3)12-13-7-10-16-11-8-13/h13-14H,4-12H2,1-3H3
InChIKeyOWNQNMLJRJTNCI-UHFFFAOYSA-N
XLogP2.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N'-methyl-N'-(oxan-4-ylmethyl)butane-1,4-diamine
CID 103152553
N-(cyclopropylmethyl)-2,2-diethoxy-N-methylethanamine
CID 63618697
1-N,5,5-trimethyl-1-N-(oxan-4-ylmethyl)hexane-1,3-diamine
CID 113497188
N-methyl-N-(oxocan-4-ylmethyl)propan-1-amine
CID 169307485
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
N-(bromomethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 115262142
1-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 63713835
4-(3,3-diethoxypropylsulfanyl)oxane
CID 63630320
N'-methyl-N-(oxan-4-yl)-N'-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 55227027
N',N'-dimethyl-N-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]ethane-1,2-diamine
CID 63707354
ethyl 2-amino-4-[cyclopropylmethyl(methyl)amino]butanoate
CID 63054415

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
The IUPAC name of 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine (CID 63712799) is 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine is CCOC(CCN(C)CC1CCOCC1)OCC.
What is the InChIKey of 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
The InChIKey is OWNQNMLJRJTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-17-14(18-5-2)6-9-15(3)12-13-7-10-16-11-8-13/h13-14H,4-12H2,1-3H3.
What are the key properties of 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine?
3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 2.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-methyl-N-(oxan-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 63712799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).