3,3-diethoxy-N-prop-2-ynylpropan-1-amine

C10H19NO2 — CID 81093552

IUPAC3,3-diethoxy-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCCC(OCC)OCC
InChIInChI=1S/C10H19NO2/c1-4-8-11-9-7-10(12-5-2)13-6-3/h1,10-11H,5-9H2,2-3H3
InChIKeyASJAPCQKKIEUBN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.00
Rot. Bonds8

About 3,3-diethoxy-N-prop-2-ynylpropan-1-amine

3,3-diethoxy-N-prop-2-ynylpropan-1-amine (PubChem CID 81093552) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-diethoxy-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N-prop-2-ynylpropan-1-amine
PubChem CID81093552
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,3-diethoxy-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCCC(OCC)OCC
InChIInChI=1S/C10H19NO2/c1-4-8-11-9-7-10(12-5-2)13-6-3/h1,10-11H,5-9H2,2-3H3
InChIKeyASJAPCQKKIEUBN-UHFFFAOYSA-N
XLogP1.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-diethoxy-N-prop-2-ynylpropan-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

N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
CID 115406800
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
3-iodo-N-prop-2-ynylbutan-1-amine
CID 140987161
4-(prop-2-ynylamino)butan-2-ol
CID 64911944
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
3,3-diethoxy-N-(2-methylsulfonylethyl)propan-1-amine
CID 81095221
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
2-[(3,3-diethoxypropylamino)methyl]-2-ethylbutan-1-ol
CID 106255675
N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine
CID 113481083

Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxy-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 3,3-diethoxy-N-prop-2-ynylpropan-1-amine (CID 81093552) is 3,3-diethoxy-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 3,3-diethoxy-N-prop-2-ynylpropan-1-amine is C#CCNCCC(OCC)OCC.
What is the InChIKey of 3,3-diethoxy-N-prop-2-ynylpropan-1-amine?
The InChIKey is ASJAPCQKKIEUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-8-11-9-7-10(12-5-2)13-6-3/h1,10-11H,5-9H2,2-3H3.
What are the key properties of 3,3-diethoxy-N-prop-2-ynylpropan-1-amine?
3,3-diethoxy-N-prop-2-ynylpropan-1-amine has a molecular weight of 185.27 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 81093552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).