3,3-diethoxy-N-methylpropan-1-amine

C8H19NO2 — CID 54501619

IUPAC3,3-diethoxy-N-methylpropan-1-amine
SMILESCCOC(CCNC)OCC
InChIInChI=1S/C8H19NO2/c1-4-10-8(11-5-2)6-7-9-3/h8-9H,4-7H2,1-3H3
InChIKeyYCVDPBWJLBQWJH-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.00
Rot. Bonds7

About 3,3-diethoxy-N-methylpropan-1-amine

3,3-diethoxy-N-methylpropan-1-amine (PubChem CID 54501619) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is 3,3-diethoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-methylpropan-1-amine
PubChem CID54501619
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Name3,3-diethoxy-N-methylpropan-1-amine
SMILESCCOC(CCNC)OCC
InChIInChI=1S/C8H19NO2/c1-4-10-8(11-5-2)6-7-9-3/h8-9H,4-7H2,1-3H3
InChIKeyYCVDPBWJLBQWJH-UHFFFAOYSA-N
XLogP1.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-diethoxy-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Amino-3,3-diethoxypropane
CID 521029
4,4-Diethoxy-N-methylbutan-1-amine
CID 13994547
(3,3-Diethoxypropyl)dimethylamine
CID 20540449
2-(N-Methyl-2-aminoethyl)-1,3-dioxolane
CID 21975567
(3,3-Diethoxypropyl)(ethyl)amine
CID 79006753
Bis(3-aminopropoxy)ethane
CID 18945828
3-(1-Butoxyethoxy)propan-1-amine
CID 89804206
N-(2,2-Diethoxyethyl)-3,3-diethoxy-1-propanamine
CID 377650
N-(2,2-dimethoxyethyl)-3-methoxypropan-1-amine
CID 58168524
3-Methylaminobutanal diethylacetal
CID 15323312
3-(1-Ethoxyethoxy)propan-1-amine
CID 19806413
(4,4-Diethoxybutyl)(ethyl)amine
CID 129322528

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-methylpropan-1-amine?
The IUPAC name of 3,3-diethoxy-N-methylpropan-1-amine (CID 54501619) is 3,3-diethoxy-N-methylpropan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-methylpropan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-methylpropan-1-amine is CCOC(CCNC)OCC.
What is the InChIKey of 3,3-diethoxy-N-methylpropan-1-amine?
The InChIKey is YCVDPBWJLBQWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2/c1-4-10-8(11-5-2)6-7-9-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3,3-diethoxy-N-methylpropan-1-amine?
3,3-diethoxy-N-methylpropan-1-amine has a molecular weight of 161.25 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-methylpropan-1-amine is sourced from PubChem (CID 54501619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).