3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol

C17H36N2O — CID 107871619

IUPAC3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN(CCC(C)C)CCC(C)C)C1CC1
InChIInChI=1S/C17H36N2O/c1-14(2)8-10-19(11-9-15(3)4)12-17(13-20,18-5)16-6-7-16/h14-16,18,20H,6-13H2,1-5H3
InChIKeySDLBVUQQVDBUHG-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.74
Rot. Bonds11

About 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol

3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol (PubChem CID 107871619) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
PubChem CID107871619
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN(CCC(C)C)CCC(C)C)C1CC1
InChIInChI=1S/C17H36N2O/c1-14(2)8-10-19(11-9-15(3)4)12-17(13-20,18-5)16-6-7-16/h14-16,18,20H,6-13H2,1-5H3
InChIKeySDLBVUQQVDBUHG-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64825632
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propanamide
CID 107871018
2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
CID 64825369
3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64825382
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propan-1-ol
CID 64795947
2-cyclopropyl-2-(methylamino)-3-(2-methylpropoxy)propan-1-ol
CID 64802778
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 107870923
2-cyclopropyl-2-(cyclopropylamino)-3-(dibutylamino)propan-1-ol
CID 64796552
2-cyclopropyl-2-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
CID 107764771
2-cyclopropyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805041
2-cyclopropyl-3-[cyclopropylmethyl(ethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64791229
2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64790739

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol (CID 107871619) is 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol is CNC(CO)(CN(CCC(C)C)CCC(C)C)C1CC1.
What is the InChIKey of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
The InChIKey is SDLBVUQQVDBUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-14(2)8-10-19(11-9-15(3)4)12-17(13-20,18-5)16-6-7-16/h14-16,18,20H,6-13H2,1-5H3.
What are the key properties of 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 2.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 107871619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).