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

C11H21N5 — CID 62737427

IUPACN-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C1CCCCC1C
InChIInChI=1S/C11H21N5/c1-3-12-8-11-13-14-15-16(11)10-7-5-4-6-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyJQKQMPFDUABGSH-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.53
Rot. Bonds4

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

N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62737427) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62737427
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC NameN-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C1CCCCC1C
InChIInChI=1S/C11H21N5/c1-3-12-8-11-13-14-15-16(11)10-7-5-4-6-9(10)2/h9-10,12H,3-8H2,1-2H3
InChIKeyJQKQMPFDUABGSH-UHFFFAOYSA-N
XLogP1.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methylcyclopentyl)tetrazol-5-yl]methyl]propan-1-amine
CID 63281708
N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62763138
2-methoxy-N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
CID 62737252
5-(chloromethyl)-1-(2-methylcyclohexyl)tetrazole
CID 62736611
2-[1-(2-methylcyclohexyl)tetrazol-5-yl]acetic acid
CID 82228275
N-[[1-(thiolan-3-yl)tetrazol-5-yl]methyl]ethanamine
CID 103064873
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63997160
N-[[1-(2,4-dimethylcyclohexyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63999774
2-methoxy-N-[[1-(3-methyloxan-4-yl)tetrazol-5-yl]methyl]ethanamine
CID 114241326
5-(chloromethyl)-1-(2,3-dimethylcyclohexyl)tetrazole
CID 62736609
N-[[1-(2-ethylsulfanylcyclopentyl)tetrazol-5-yl]methyl]propan-2-amine
CID 114121872
N-[[1-[(3-methylcyclohexyl)methyl]tetrazol-5-yl]methyl]ethanamine
CID 114130101

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine (CID 62737427) is N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C1CCCCC1C.
What is the InChIKey of N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is JQKQMPFDUABGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-3-12-8-11-13-14-15-16(11)10-7-5-4-6-9(10)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylcyclohexyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62737427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).