2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol

C17H34N2O — CID 64796552

IUPAC2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
SMILESCCCCN(CCCC)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C17H34N2O/c1-3-5-11-19(12-6-4-2)13-17(14-20,15-7-8-15)18-16-9-10-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyJOXCRLXANUQUKX-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.78
Rot. Bonds12

About 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol

2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol (PubChem CID 64796552) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
PubChem CID64796552
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
SMILESCCCCN(CCCC)CC(CO)(NC1CC1)C1CC1
InChIInChI=1S/C17H34N2O/c1-3-5-11-19(12-6-4-2)13-17(14-20,15-7-8-15)18-16-9-10-16/h15-16,18,20H,3-14H2,1-2H3
InChIKeyJOXCRLXANUQUKX-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propyl)amino]propan-1-ol
CID 64796814
2-cyclopropyl-2-(cyclopropylamino)-3-[ethyl(propan-2-yl)amino]propan-1-ol
CID 64798076
2-cyclopropyl-2-(cyclopropylamino)-3-[2-ethoxyethyl(methyl)amino]propan-1-ol
CID 81065079
3-[cycloheptyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64798775
2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 64825994
2-cyclopropyl-3-[3-(dimethylamino)propyl-ethylamino]-2-(propylamino)propan-1-ol
CID 102998387
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64791568
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-cyclopropyl-2-(cyclopropylamino)propan-1-ol
CID 64790212
2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol
CID 64826170
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 107871619
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propan-1-ol
CID 64795947
3-(N-butylanilino)-2-(cyclopropylamino)-2-methylpropan-1-ol
CID 64810630

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol (CID 64796552) is 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol is CCCCN(CCCC)CC(CO)(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol?
The InChIKey is JOXCRLXANUQUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-5-11-19(12-6-4-2)13-17(14-20,15-7-8-15)18-16-9-10-16/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol?
2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 2.78, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol is sourced from PubChem (CID 64796552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).