2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol

C15H32N2O — CID 64825632

IUPAC2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CCN(C)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H32N2O/c1-12(2)8-9-17(5)10-15(11-18,14-6-7-14)16-13(3)4/h12-14,16,18H,6-11H2,1-5H3
InChIKeyUXLSFWDMVHQJAF-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.10
Rot. Bonds9

About 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol

2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64825632) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
PubChem CID64825632
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol
SMILESCC(C)CCN(C)CC(CO)(NC(C)C)C1CC1
InChIInChI=1S/C15H32N2O/c1-12(2)8-9-17(5)10-15(11-18,14-6-7-14)16-13(3)4/h12-14,16,18H,6-11H2,1-5H3
InChIKeyUXLSFWDMVHQJAF-UHFFFAOYSA-N
XLogP2.10
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-[2-(dimethylamino)ethyl-methylamino]-2-(propan-2-ylamino)propan-1-ol
CID 64791623
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64791568
2-cyclopropyl-3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 81063258
2-cyclopropyl-3-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826657
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 107871619
2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propan-1-ol
CID 64819239
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-methoxy-2-(propan-2-ylamino)propan-1-ol
CID 64804918
2-cyclopropyl-3-methylsulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806021
1-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 64818466
2-(ethylamino)-2-methyl-3-[methyl(3-methylbutyl)amino]propan-1-ol
CID 64826613

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol (CID 64825632) is 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol is CC(C)CCN(C)CC(CO)(NC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is UXLSFWDMVHQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-12(2)8-9-17(5)10-15(11-18,14-6-7-14)16-13(3)4/h12-14,16,18H,6-11H2,1-5H3.
What are the key properties of 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol?
2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64825632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).