4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol

C11H26N2O — CID 64796057

IUPAC4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol
SMILESCCN(CC)CCC(CO)NC(C)C
InChIInChI=1S/C11H26N2O/c1-5-13(6-2)8-7-11(9-14)12-10(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyKMIGYIIOIDZENG-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.08
Rot. Bonds8

About 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol

4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64796057) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64796057
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol
SMILESCCN(CC)CCC(CO)NC(C)C
InChIInChI=1S/C11H26N2O/c1-5-13(6-2)8-7-11(9-14)12-10(3)4/h10-12,14H,5-9H2,1-4H3
InChIKeyKMIGYIIOIDZENG-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(2-methoxyethyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826950
4-[2-(dimethylamino)ethyl-propylamino]-2-(propan-2-ylamino)butan-1-ol
CID 64789380
4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 64826563
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butan-1-ol
CID 81064401
4-[ethyl(2-methylpropyl)amino]-2-(propylamino)butan-1-ol
CID 64798491
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
1-N,1-N-diethyl-3-N-methylpentane-1,3-diamine
CID 79087133
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497
1-N,1-N,3-N-triethyl-5-methylhexane-1,3-diamine
CID 79086942
3-[methyl(pentyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64796603
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butan-1-ol
CID 64797013
2-(diethylamino)ethanol;2-(2-hydroxyethylamino)hexan-1-ol
CID 155123855

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol (CID 64796057) is 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol is CCN(CC)CCC(CO)NC(C)C.
What is the InChIKey of 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is KMIGYIIOIDZENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-13(6-2)8-7-11(9-14)12-10(3)4/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol?
4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64796057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).