4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol

C13H30N2O — CID 64798491

IUPAC4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(CC)CC(C)C
InChIInChI=1S/C13H30N2O/c1-5-8-14-13(11-16)7-9-15(6-2)10-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyPCCDFBZYOUXTPC-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds10

About 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol

4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol (PubChem CID 64798491) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
PubChem CID64798491
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN(CC)CC(C)C
InChIInChI=1S/C13H30N2O/c1-5-8-14-13(11-16)7-9-15(6-2)10-12(3)4/h12-14,16H,5-11H2,1-4H3
InChIKeyPCCDFBZYOUXTPC-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-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

3-(diethylamino)-2-(propylamino)propan-1-ol
CID 64798637
4-[propan-2-yl(propyl)amino]-2-(propylamino)butan-1-ol
CID 64795492
4-[butyl(ethyl)amino]-3-(propylamino)butan-1-ol
CID 64897316
2-amino-4-[ethyl(2-methylpropyl)amino]butan-1-ol
CID 64797844
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
3-[ethyl(2-ethylbutyl)amino]-2-(propylamino)propan-1-ol
CID 64825940
N'-ethyl-N'-(2-methylpropyl)-N-propylethane-1,2-diamine
CID 61386594
1-N-ethyl-3-methoxy-1-N-(2-methylpropyl)-2-N-propylpropane-1,2-diamine
CID 107505371
4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol
CID 64796057
2-(3-methylbutylamino)propane-1,3-diol
CID 22723330
2-(diethylamino)ethanol;2-(2-hydroxyethylamino)hexan-1-ol
CID 155123855
4-[ethyl(2-methylbutyl)amino]-2-(propylamino)butanenitrile
CID 79481322

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol (CID 64798491) is 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol is CCCNC(CO)CCN(CC)CC(C)C.
What is the InChIKey of 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol?
The InChIKey is PCCDFBZYOUXTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-5-8-14-13(11-16)7-9-15(6-2)10-12(3)4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol?
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64798491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).