5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol

C17H23NO — CID 69329431

IUPAC5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol
SMILESCC(C)(CO)CC(CN)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-17(2,12-19)10-14(11-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,19H,10-12,18H2,1-2H3
InChIKeySEHZFPAFOPALRD-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.29
Rot. Bonds5

About 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol

5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol (PubChem CID 69329431) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol.

Molecular Properties

Compound Name5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol
PubChem CID69329431
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol
SMILESCC(C)(CO)CC(CN)c1cccc2ccccc12
InChIInChI=1S/C17H23NO/c1-17(2,12-19)10-14(11-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,19H,10-12,18H2,1-2H3
InChIKeySEHZFPAFOPALRD-UHFFFAOYSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol?
The IUPAC name of 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol (CID 69329431) is 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol.
What is the SMILES notation for 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol?
The canonical SMILES for 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol is CC(C)(CO)CC(CN)c1cccc2ccccc12.
What is the InChIKey of 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol?
The InChIKey is SEHZFPAFOPALRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,12-19)10-14(11-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-9,14,19H,10-12,18H2,1-2H3.
What are the key properties of 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol?
5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,2-dimethyl-4-naphthalen-1-ylpentan-1-ol is sourced from PubChem (CID 69329431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).