1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol

C21H42N2O2 — CID 19890035

IUPAC1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN(C1CCCCC1)C1CCCCC1)CC(C)O
InChIInChI=1S/C21H42N2O2/c1-18(24)16-22(17-19(2)25)14-9-15-23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h18-21,24-25H,3-17H2,1-2H3
InChIKeySNRZIDOVQXUVNB-UHFFFAOYSA-N
MW354.58 g/mol
LogP3.41
Rot. Bonds10

About 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol

1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol (PubChem CID 19890035) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
PubChem CID19890035
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol
SMILESCC(O)CN(CCCN(C1CCCCC1)C1CCCCC1)CC(C)O
InChIInChI=1S/C21H42N2O2/c1-18(24)16-22(17-19(2)25)14-9-15-23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h18-21,24-25H,3-17H2,1-2H3
InChIKeySNRZIDOVQXUVNB-UHFFFAOYSA-N
XLogP3.41
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
The IUPAC name of 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol (CID 19890035) is 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol.
What is the SMILES notation for 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
The canonical SMILES for 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol is CC(O)CN(CCCN(C1CCCCC1)C1CCCCC1)CC(C)O.
What is the InChIKey of 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
The InChIKey is SNRZIDOVQXUVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-18(24)16-22(17-19(2)25)14-9-15-23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h18-21,24-25H,3-17H2,1-2H3.
What are the key properties of 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol?
1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol has a molecular weight of 354.58 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dicyclohexylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol is sourced from PubChem (CID 19890035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).