1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol

C17H23NO — CID 18784209

IUPAC1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol
SMILESCC(C)(C)C(O)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15-16,19H,11,18H2,1-3H3
InChIKeyACLBNEZZSUCMOL-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.29
Rot. Bonds3

About 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol

1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol (PubChem CID 18784209) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol.

Molecular Properties

Compound Name1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol
PubChem CID18784209
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol
SMILESCC(C)(C)C(O)C(CN)c1ccc2ccccc2c1
InChIInChI=1S/C17H23NO/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15-16,19H,11,18H2,1-3H3
InChIKeyACLBNEZZSUCMOL-UHFFFAOYSA-N
XLogP3.29
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol?
The IUPAC name of 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol (CID 18784209) is 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol.
What is the SMILES notation for 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol?
The canonical SMILES for 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol is CC(C)(C)C(O)C(CN)c1ccc2ccccc2c1.
What is the InChIKey of 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol?
The InChIKey is ACLBNEZZSUCMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-17(2,3)16(19)15(11-18)14-9-8-12-6-4-5-7-13(12)10-14/h4-10,15-16,19H,11,18H2,1-3H3.
What are the key properties of 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol?
1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol has a molecular weight of 257.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4,4-dimethyl-2-naphthalen-2-ylpentan-3-ol is sourced from PubChem (CID 18784209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).