2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine

C14H19N5 — CID 82821548

IUPAC2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine
SMILESCC(NC1c2ccccc2CC1(C)C)c1nn[nH]n1
InChIInChI=1S/C14H19N5/c1-9(13-16-18-19-17-13)15-12-11-7-5-4-6-10(11)8-14(12,2)3/h4-7,9,12,15H,8H2,1-3H3,(H,16,17,18,19)
InChIKeyNCTVCJBWXRWMMV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.17
Rot. Bonds3

About 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine

2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine (PubChem CID 82821548) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine
PubChem CID82821548
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine
SMILESCC(NC1c2ccccc2CC1(C)C)c1nn[nH]n1
InChIInChI=1S/C14H19N5/c1-9(13-16-18-19-17-13)15-12-11-7-5-4-6-10(11)8-14(12,2)3/h4-7,9,12,15H,8H2,1-3H3,(H,16,17,18,19)
InChIKeyNCTVCJBWXRWMMV-UHFFFAOYSA-N
XLogP2.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine (CID 82821548) is 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine is CC(NC1c2ccccc2CC1(C)C)c1nn[nH]n1.
What is the InChIKey of 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine?
The InChIKey is NCTVCJBWXRWMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-9(13-16-18-19-17-13)15-12-11-7-5-4-6-10(11)8-14(12,2)3/h4-7,9,12,15H,8H2,1-3H3,(H,16,17,18,19).
What are the key properties of 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine?
2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(2H-tetrazol-5-yl)ethyl]-1,3-dihydroinden-1-amine is sourced from PubChem (CID 82821548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).