7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol

C18H25NO — CID 11311787

IUPAC7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESC=CCN(CC=C)C1CCc2ccc(O)cc2C1(C)C
InChIInChI=1S/C18H25NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h5-7,9,13,17,20H,1-2,8,10-12H2,3-4H3
InChIKeySNFJJCDHDZXMFR-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.66
Rot. Bonds5

About 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol

7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol (PubChem CID 11311787) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol.

Molecular Properties

Compound Name7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
PubChem CID11311787
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol
SMILESC=CCN(CC=C)C1CCc2ccc(O)cc2C1(C)C
InChIInChI=1S/C18H25NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h5-7,9,13,17,20H,1-2,8,10-12H2,3-4H3
InChIKeySNFJJCDHDZXMFR-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol 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 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The IUPAC name of 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol (CID 11311787) is 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol.
What is the SMILES notation for 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The canonical SMILES for 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol is C=CCN(CC=C)C1CCc2ccc(O)cc2C1(C)C.
What is the InChIKey of 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
The InChIKey is SNFJJCDHDZXMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-11-19(12-6-2)17-10-8-14-7-9-15(20)13-16(14)18(17,3)4/h5-7,9,13,17,20H,1-2,8,10-12H2,3-4H3.
What are the key properties of 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol?
7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol has a molecular weight of 271.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bis(prop-2-enyl)amino]-8,8-dimethyl-6,7-dihydro-5H-naphthalen-2-ol is sourced from PubChem (CID 11311787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).