4-(dipropylamino)-3-(ethylamino)butan-1-ol

C12H28N2O — CID 64899669

IUPAC4-(dipropylamino)-3-(ethylamino)butan-1-ol
SMILESCCCN(CCC)CC(CCO)NCC
InChIInChI=1S/C12H28N2O/c1-4-8-14(9-5-2)11-12(7-10-15)13-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyRWCXHRUHRGERKY-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.47
Rot. Bonds10

About 4-(dipropylamino)-3-(ethylamino)butan-1-ol

4-(dipropylamino)-3-(ethylamino)butan-1-ol (PubChem CID 64899669) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-(dipropylamino)-3-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(dipropylamino)-3-(ethylamino)butan-1-ol
PubChem CID64899669
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-(dipropylamino)-3-(ethylamino)butan-1-ol
SMILESCCCN(CCC)CC(CCO)NCC
InChIInChI=1S/C12H28N2O/c1-4-8-14(9-5-2)11-12(7-10-15)13-6-3/h12-13,15H,4-11H2,1-3H3
InChIKeyRWCXHRUHRGERKY-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethylamino)-4-[ethyl(2-ethylbutyl)amino]butan-1-ol
CID 64899898
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64900116
3-(ethylamino)-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900540
2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044491
4-[butyl(ethyl)amino]-3-(propylamino)butan-1-ol
CID 64897316
2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64828088
2-N-ethyl-1-N,1-N-bis(2-methoxyethyl)pentane-1,2-diamine
CID 62043594
3-(dipropylamino)-2-(methylamino)propan-1-ol
CID 64797176
4-[2-(dimethylamino)ethyl-propylamino]-2-(ethylamino)butan-1-ol
CID 64789571
3-(ethylamino)-4-[methyl(2-methylsulfonylethyl)amino]butan-1-ol
CID 79850353
3-(ethylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64898163

Frequently Asked Questions

What is the IUPAC name of 4-(dipropylamino)-3-(ethylamino)butan-1-ol?
The IUPAC name of 4-(dipropylamino)-3-(ethylamino)butan-1-ol (CID 64899669) is 4-(dipropylamino)-3-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(dipropylamino)-3-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(dipropylamino)-3-(ethylamino)butan-1-ol is CCCN(CCC)CC(CCO)NCC.
What is the InChIKey of 4-(dipropylamino)-3-(ethylamino)butan-1-ol?
The InChIKey is RWCXHRUHRGERKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-4-8-14(9-5-2)11-12(7-10-15)13-6-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 4-(dipropylamino)-3-(ethylamino)butan-1-ol?
4-(dipropylamino)-3-(ethylamino)butan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dipropylamino)-3-(ethylamino)butan-1-ol is sourced from PubChem (CID 64899669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).