N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine

C12H20N4 — CID 141424914

IUPACN-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
SMILESCCNC1C=C(n2cncn2)CCC1(C)C
InChIInChI=1S/C12H20N4/c1-4-14-11-7-10(5-6-12(11,2)3)16-9-13-8-15-16/h7-9,11,14H,4-6H2,1-3H3
InChIKeyQJMDOAWTWGEFMV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds3

About N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine

N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine (PubChem CID 141424914) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
PubChem CID141424914
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
SMILESCCNC1C=C(n2cncn2)CCC1(C)C
InChIInChI=1S/C12H20N4/c1-4-14-11-7-10(5-6-12(11,2)3)16-9-13-8-15-16/h7-9,11,14H,4-6H2,1-3H3
InChIKeyQJMDOAWTWGEFMV-UHFFFAOYSA-N
XLogP1.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Fluoro-3-[3-(1,2,4-triazol-1-yl)propyl]cyclohexa-1,5-diene-1,4-diamine
CID 175313537
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine;hydrochloride
CID 117763986
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 117763987
1-(3-Azido-4,4-dimethylcyclopenten-1-yl)-1,2,4-triazole
CID 121317419
6,6-Dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 121317558
1-(3-Azido-4,4-dimethylcyclohexen-1-yl)-1,2,4-triazole
CID 121317634
N,6,6-trimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 141424888
N-ethyl-5,5-dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 141424897
2-Methyl-4-(1,2,4-triazol-1-yl)-1,2,3,6-tetrahydropyridine
CID 173107871
6-Methyl-3-(1,2,4-triazol-1-yl)hept-2-en-1-amine
CID 174778823

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
The IUPAC name of N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine (CID 141424914) is N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
The canonical SMILES for N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine is CCNC1C=C(n2cncn2)CCC1(C)C.
What is the InChIKey of N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
The InChIKey is QJMDOAWTWGEFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-14-11-7-10(5-6-12(11,2)3)16-9-13-8-15-16/h7-9,11,14H,4-6H2,1-3H3.
What are the key properties of N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine?
N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine is sourced from PubChem (CID 141424914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).