N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine

C14H27N5 — CID 103086274

IUPACN-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CCC1CCC(C)CC1
InChIInChI=1S/C14H27N5/c1-4-15-12(3)14-16-17-18-19(14)10-9-13-7-5-11(2)6-8-13/h11-13,15H,4-10H2,1-3H3
InChIKeyKHZRZVURSOTSHK-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.56
Rot. Bonds6

About N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine

N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine (PubChem CID 103086274) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
PubChem CID103086274
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine
SMILESCCNC(C)c1nnnn1CCC1CCC(C)CC1
InChIInChI=1S/C14H27N5/c1-4-15-12(3)14-16-17-18-19(14)10-9-13-7-5-11(2)6-8-13/h11-13,15H,4-10H2,1-3H3
InChIKeyKHZRZVURSOTSHK-UHFFFAOYSA-N
XLogP2.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine (CID 103086274) is N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine is CCNC(C)c1nnnn1CCC1CCC(C)CC1.
What is the InChIKey of N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
The InChIKey is KHZRZVURSOTSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-15-12(3)14-16-17-18-19(14)10-9-13-7-5-11(2)6-8-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine?
N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[2-(4-methylcyclohexyl)ethyl]tetrazol-5-yl]ethanamine is sourced from PubChem (CID 103086274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).