4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine

C13H17N5 — CID 61151515

IUPAC4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(N)(c2nn[nH]n2)c2ccccc21
InChIInChI=1S/C13H17N5/c1-12(2)7-8-13(14,11-15-17-18-16-11)10-6-4-3-5-9(10)12/h3-6H,7-8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyDEKLRFVQQAAOHY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.47
Rot. Bonds1

About 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine

4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine (PubChem CID 61151515) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine
PubChem CID61151515
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine
SMILESCC1(C)CCC(N)(c2nn[nH]n2)c2ccccc21
InChIInChI=1S/C13H17N5/c1-12(2)7-8-13(14,11-15-17-18-16-11)10-6-4-3-5-9(10)12/h3-6H,7-8,14H2,1-2H3,(H,15,16,17,18)
InChIKeyDEKLRFVQQAAOHY-UHFFFAOYSA-N
XLogP1.47
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
CID 164806541
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
CID 61333068
1-(2H-tetrazol-5-yl)cyclopentan-1-amine
CID 54594012
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
5-(1-phenylcyclopentyl)-2H-tetrazole
CID 63079747
1-(2H-tetrazol-5-yl)cyclooctan-1-amine
CID 61150852
1-(2H-tetrazol-5-yl)cyclohexan-1-amine
CID 61149474
5-[4-[(Z)-2-phenyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]-2H-tetrazole
CID 59963142
benzyl (2S)-2-methyl-2-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
CID 24777003
5-(4-phenyloxan-4-yl)-2H-tetrazole
CID 63081162
5-(1-tert-butylcyclopropyl)-2H-tetrazole
CID 118098643

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine?
The IUPAC name of 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine (CID 61151515) is 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine.
What is the SMILES notation for 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine?
The canonical SMILES for 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine is CC1(C)CCC(N)(c2nn[nH]n2)c2ccccc21.
What is the InChIKey of 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine?
The InChIKey is DEKLRFVQQAAOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-12(2)7-8-13(14,11-15-17-18-16-11)10-6-4-3-5-9(10)12/h3-6H,7-8,14H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine?
4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine has a molecular weight of 243.31 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2H-tetrazol-5-yl)-2,3-dihydronaphthalen-1-amine is sourced from PubChem (CID 61151515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).