1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol

C13H22N2O — CID 139342756

IUPAC1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol
SMILESC#CCN(CC)CC(O)CN(CC)CC#C
InChIInChI=1S/C13H22N2O/c1-5-9-14(7-3)11-13(16)12-15(8-4)10-6-2/h1-2,13,16H,7-12H2,3-4H3
InChIKeyVWAVLKZRCWFPNS-UHFFFAOYSA-N
MW222.33 g/mol
LogP0.26
Rot. Bonds8

About 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol

1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol (PubChem CID 139342756) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol
PubChem CID139342756
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol
SMILESC#CCN(CC)CC(O)CN(CC)CC#C
InChIInChI=1S/C13H22N2O/c1-5-9-14(7-3)11-13(16)12-15(8-4)10-6-2/h1-2,13,16H,7-12H2,3-4H3
InChIKeyVWAVLKZRCWFPNS-UHFFFAOYSA-N
XLogP0.26
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol 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-ethyl-2-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 130666079
N-(2-chloroethyl)-N-ethylprop-2-yn-1-amine
CID 55302834
3-(diethylamino)propane-1,2-diol;hydrochloride
CID 174870807
(2R)-1-amino-3-(diethylamino)propan-2-ol
CID 7000197
[bis(prop-2-ynyl)amino]methanol
CID 158644240
1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol;1,3-bis(2-methylbut-3-yn-2-ylamino)propan-2-ol;bis(4-(diethylamino)but-2-yn-1-ol);bis(1-(diethylamino)-4,6-dimethylhept-2-yn-4-ol);bis(5-(diethylamino)-2-methylpent-3-yn-2-ol);4-(2-methylbut-3-yn-2-ylamino)butane-1,3-diol
CID 157049927
1,4-bis(diethylamino)butane-1,3-diol
CID 91528509
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
1-[ethyl-(2-ethynyl-12-methyltridecyl)amino]-12-methyltridecan-2-ol
CID 170571517
N-[3-[ethyl(propyl)amino]-2-hydroxypropyl]acetamide
CID 90250306
2-(diethylamino)ethane-1,1-diol;hydrobromide
CID 175089044
3-[3-(diethylamino)propyl-ethylamino]propane-1,2-diol
CID 102995838

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol?
The IUPAC name of 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol (CID 139342756) is 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol.
What is the SMILES notation for 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol?
The canonical SMILES for 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol is C#CCN(CC)CC(O)CN(CC)CC#C.
What is the InChIKey of 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol?
The InChIKey is VWAVLKZRCWFPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-9-14(7-3)11-13(16)12-15(8-4)10-6-2/h1-2,13,16H,7-12H2,3-4H3.
What are the key properties of 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol?
1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[ethyl(prop-2-ynyl)amino]propan-2-ol is sourced from PubChem (CID 139342756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).