1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine

C15H27N5 — CID 22300624

IUPAC1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine
SMILESNC(Cc1nnnn1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27N5/c16-14(12-7-3-1-4-8-12)11-15-17-18-19-20(15)13-9-5-2-6-10-13/h12-14H,1-11,16H2
InChIKeyBRHQIIPJWSBPEW-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.63
Rot. Bonds4

About 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine

1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine (PubChem CID 22300624) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine
PubChem CID22300624
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine
SMILESNC(Cc1nnnn1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H27N5/c16-14(12-7-3-1-4-8-12)11-15-17-18-19-20(15)13-9-5-2-6-10-13/h12-14H,1-11,16H2
InChIKeyBRHQIIPJWSBPEW-UHFFFAOYSA-N
XLogP2.63
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine?
The IUPAC name of 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine (CID 22300624) is 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine is NC(Cc1nnnn1C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine?
The InChIKey is BRHQIIPJWSBPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c16-14(12-7-3-1-4-8-12)11-15-17-18-19-20(15)13-9-5-2-6-10-13/h12-14H,1-11,16H2.
What are the key properties of 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine?
1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine has a molecular weight of 277.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-cyclohexyltetrazol-5-yl)ethanamine is sourced from PubChem (CID 22300624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).