3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol

C17H36N2O — CID 102870774

IUPAC3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol
SMILESCCC(CC)(CNC(C)C)CN(CCCO)C1CCC1
InChIInChI=1S/C17H36N2O/c1-5-17(6-2,13-18-15(3)4)14-19(11-8-12-20)16-9-7-10-16/h15-16,18,20H,5-14H2,1-4H3
InChIKeyLUYJJKWIUBNFGO-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds11

About 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol

3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol (PubChem CID 102870774) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol
PubChem CID102870774
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol
SMILESCCC(CC)(CNC(C)C)CN(CCCO)C1CCC1
InChIInChI=1S/C17H36N2O/c1-5-17(6-2,13-18-15(3)4)14-19(11-8-12-20)16-9-7-10-16/h15-16,18,20H,5-14H2,1-4H3
InChIKeyLUYJJKWIUBNFGO-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol?
The IUPAC name of 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol (CID 102870774) is 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol.
What is the SMILES notation for 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol?
The canonical SMILES for 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol is CCC(CC)(CNC(C)C)CN(CCCO)C1CCC1.
What is the InChIKey of 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol?
The InChIKey is LUYJJKWIUBNFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-17(6-2,13-18-15(3)4)14-19(11-8-12-20)16-9-7-10-16/h15-16,18,20H,5-14H2,1-4H3.
What are the key properties of 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol?
3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl-[2-ethyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-1-ol is sourced from PubChem (CID 102870774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).