6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one

C15H32N2O2 — CID 146430028

IUPAC6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one
SMILESCCC(=O)CC(O)CNCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C15H32N2O2/c1-6-12(18)7-13(19)8-17-11-15(4,5)9-14(2,3)10-16/h13,17,19H,6-11,16H2,1-5H3
InChIKeyIKLLCIOCRPSWEU-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.71
Rot. Bonds10

About 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one

6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one (PubChem CID 146430028) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one.

Molecular Properties

Compound Name6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one
PubChem CID146430028
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one
SMILESCCC(=O)CC(O)CNCC(C)(C)CC(C)(C)CN
InChIInChI=1S/C15H32N2O2/c1-6-12(18)7-13(19)8-17-11-15(4,5)9-14(2,3)10-16/h13,17,19H,6-11,16H2,1-5H3
InChIKeyIKLLCIOCRPSWEU-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one 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 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one?
The IUPAC name of 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one (CID 146430028) is 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one.
What is the SMILES notation for 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one?
The canonical SMILES for 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one is CCC(=O)CC(O)CNCC(C)(C)CC(C)(C)CN.
What is the InChIKey of 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one?
The InChIKey is IKLLCIOCRPSWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-6-12(18)7-13(19)8-17-11-15(4,5)9-14(2,3)10-16/h13,17,19H,6-11,16H2,1-5H3.
What are the key properties of 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one?
6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one has a molecular weight of 272.43 g/mol, XLogP of 1.71, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-2,2,4,4-tetramethylpentyl)amino]-5-hydroxyhexan-3-one is sourced from PubChem (CID 146430028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).