3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol

C14H30N2O2 — CID 64825382

IUPAC3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCCC(C)N(CCOC)CC(CO)(NC)C1CC1
InChIInChI=1S/C14H30N2O2/c1-5-12(2)16(8-9-18-4)10-14(11-17,15-3)13-6-7-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyWBASWIYZRCGKJB-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.09
Rot. Bonds10

About 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol

3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol (PubChem CID 64825382) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
PubChem CID64825382
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCCC(C)N(CCOC)CC(CO)(NC)C1CC1
InChIInChI=1S/C14H30N2O2/c1-5-12(2)16(8-9-18-4)10-14(11-17,15-3)13-6-7-13/h12-13,15,17H,5-11H2,1-4H3
InChIKeyWBASWIYZRCGKJB-UHFFFAOYSA-N
XLogP1.09
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]propan-1-ol
CID 64825994
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propanoate
CID 63910377
2-cyclopropyl-2-(methylamino)-3-[pentyl(propan-2-yl)amino]propan-1-ol
CID 64825369
2-cyclopropyl-2-(cyclopropylamino)-3-[1-cyclopropylethyl(2-methoxyethyl)amino]propan-1-ol
CID 64826170
3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64797656
3-[bis(3-methylbutyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 107871619
2-cyclopropyl-3-(1-methoxypropan-2-yloxy)-2-(methylamino)propan-1-ol
CID 64811394
2-cyclopropyl-3-[2-methoxyethyl(methyl)amino]-2-(propylamino)propan-1-ol
CID 64826993
2-cyclopropyl-3-[cyclopropyl(propyl)amino]-2-(methylamino)propan-1-ol
CID 64795947
2-(cyclopropylamino)-4-[2-methoxyethyl(pentan-3-yl)amino]-2-methylbutan-1-ol
CID 64825611
2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propan-1-ol
CID 64807175
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol (CID 64825382) is 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol is CCC(C)N(CCOC)CC(CO)(NC)C1CC1.
What is the InChIKey of 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
The InChIKey is WBASWIYZRCGKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-12(2)16(8-9-18-4)10-14(11-17,15-3)13-6-7-13/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol?
3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol has a molecular weight of 258.41 g/mol, XLogP of 1.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(2-methoxyethyl)amino]-2-cyclopropyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64825382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).