5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol

C17H29NO — CID 75428681

IUPAC5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol
SMILESCC(O)CC(CNC(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-13(19)11-16(15-9-7-6-8-10-15)12-18-14(2)17(3,4)5/h6-10,13-14,16,18-19H,11-12H2,1-5H3
InChIKeyAHRAFDULWVDUBJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.57
Rot. Bonds6

About 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol

5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol (PubChem CID 75428681) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol.

Molecular Properties

Compound Name5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol
PubChem CID75428681
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol
SMILESCC(O)CC(CNC(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C17H29NO/c1-13(19)11-16(15-9-7-6-8-10-15)12-18-14(2)17(3,4)5/h6-10,13-14,16,18-19H,11-12H2,1-5H3
InChIKeyAHRAFDULWVDUBJ-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol?
The IUPAC name of 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol (CID 75428681) is 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol.
What is the SMILES notation for 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol?
The canonical SMILES for 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol is CC(O)CC(CNC(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol?
The InChIKey is AHRAFDULWVDUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(19)11-16(15-9-7-6-8-10-15)12-18-14(2)17(3,4)5/h6-10,13-14,16,18-19H,11-12H2,1-5H3.
What are the key properties of 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol?
5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol has a molecular weight of 263.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutan-2-ylamino)-4-phenylpentan-2-ol is sourced from PubChem (CID 75428681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).