3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol

C11H24N2O — CID 64791382

IUPAC3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
SMILESCCCCN(C)CC(CO)NC1CC1
InChIInChI=1S/C11H24N2O/c1-3-4-7-13(2)8-11(9-14)12-10-5-6-10/h10-12,14H,3-9H2,1-2H3
InChIKeyCQQXGXZIVKUAJP-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.83
Rot. Bonds8

About 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol

3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol (PubChem CID 64791382) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
PubChem CID64791382
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol
SMILESCCCCN(C)CC(CO)NC1CC1
InChIInChI=1S/C11H24N2O/c1-3-4-7-13(2)8-11(9-14)12-10-5-6-10/h10-12,14H,3-9H2,1-2H3
InChIKeyCQQXGXZIVKUAJP-UHFFFAOYSA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol?
The IUPAC name of 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol (CID 64791382) is 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol.
What is the SMILES notation for 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol?
The canonical SMILES for 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol is CCCCN(C)CC(CO)NC1CC1.
What is the InChIKey of 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol?
The InChIKey is CQQXGXZIVKUAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-4-7-13(2)8-11(9-14)12-10-5-6-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol?
3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-2-(cyclopropylamino)propan-1-ol is sourced from PubChem (CID 64791382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).