5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

C17H36N2O — CID 65286793

IUPAC5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN1CCCC(C)(C)CC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-17(4,15-20)9-7-13-19-12-6-8-16(2,3)10-14-19/h18,20H,5-15H2,1-4H3
InChIKeyZBBFWQUWNBZCPC-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds8

About 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol

5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 65286793) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID65286793
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CCCN1CCCC(C)(C)CC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-17(4,15-20)9-7-13-19-12-6-8-16(2,3)10-14-19/h18,20H,5-15H2,1-4H3
InChIKeyZBBFWQUWNBZCPC-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol (CID 65286793) is 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CCCN1CCCC(C)(C)CC1.
What is the InChIKey of 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is ZBBFWQUWNBZCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-11-18-17(4,15-20)9-7-13-19-12-6-8-16(2,3)10-14-19/h18,20H,5-15H2,1-4H3.
What are the key properties of 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol?
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 65286793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).