1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol

C13H26N4O — CID 54958866

IUPAC1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)Cn1ccnc1
InChIInChI=1S/C13H26N4O/c1-4-16(5-2)10-13(18)8-15-12(3)9-17-7-6-14-11-17/h6-7,11-13,15,18H,4-5,8-10H2,1-3H3
InChIKeyDKAMZQRLXAZFJE-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.56
Rot. Bonds9

About 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol

1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol (PubChem CID 54958866) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
PubChem CID54958866
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
SMILESCCN(CC)CC(O)CNC(C)Cn1ccnc1
InChIInChI=1S/C13H26N4O/c1-4-16(5-2)10-13(18)8-15-12(3)9-17-7-6-14-11-17/h6-7,11-13,15,18H,4-5,8-10H2,1-3H3
InChIKeyDKAMZQRLXAZFJE-UHFFFAOYSA-N
XLogP0.56
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazol-1-yl-3-(propan-2-ylamino)propan-2-ol
CID 43165900
1-(butan-2-ylamino)-3-(diethylamino)propan-2-ol
CID 60710637
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
N'-(1-imidazol-1-ylpropan-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 107441820
2-(1-imidazol-1-ylpropan-2-ylamino)-1-thiophen-2-ylethanol
CID 54958917
1-(1-imidazol-1-ylpropan-2-ylamino)-3-(3-methylphenoxy)propan-2-ol
CID 61479372
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
1-(1-imidazol-1-ylpropan-2-yl)-3-propylthiourea
CID 115583370

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol (CID 54958866) is 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol is CCN(CC)CC(O)CNC(C)Cn1ccnc1.
What is the InChIKey of 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
The InChIKey is DKAMZQRLXAZFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-16(5-2)10-13(18)8-15-12(3)9-17-7-6-14-11-17/h6-7,11-13,15,18H,4-5,8-10H2,1-3H3.
What are the key properties of 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol?
1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol has a molecular weight of 254.38 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 54958866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).