N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline

C15H21N5 — CID 80705914

IUPACN-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cccc(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H21N5/c1-15(2)8-7-13(10-15)16-12-6-4-5-11(9-12)14-17-18-19-20(14)3/h4-6,9,13,16H,7-8,10H2,1-3H3
InChIKeyMECQZQRQJIKAKN-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.87
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline

N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline (PubChem CID 80705914) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline
PubChem CID80705914
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline
SMILESCn1nnnc1-c1cccc(NC2CCC(C)(C)C2)c1
InChIInChI=1S/C15H21N5/c1-15(2)8-7-13(10-15)16-12-6-4-5-11(9-12)14-17-18-19-20(14)3/h4-6,9,13,16H,7-8,10H2,1-3H3
InChIKeyMECQZQRQJIKAKN-UHFFFAOYSA-N
XLogP2.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline (CID 80705914) is N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline is Cn1nnnc1-c1cccc(NC2CCC(C)(C)C2)c1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline?
The InChIKey is MECQZQRQJIKAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-15(2)8-7-13(10-15)16-12-6-4-5-11(9-12)14-17-18-19-20(14)3/h4-6,9,13,16H,7-8,10H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline?
N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline has a molecular weight of 271.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline is sourced from PubChem (CID 80705914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).