N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine

C12H23N5 — CID 114223495

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine
SMILESCCn1nncc1NC1(CN)CCCC(C)C1
InChIInChI=1S/C12H23N5/c1-3-17-11(8-14-16-17)15-12(9-13)6-4-5-10(2)7-12/h8,10,15H,3-7,9,13H2,1-2H3
InChIKeyJTRPYLBQHIOLTR-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.62
Rot. Bonds4

About N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine

N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine (PubChem CID 114223495) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine
PubChem CID114223495
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine
SMILESCCn1nncc1NC1(CN)CCCC(C)C1
InChIInChI=1S/C12H23N5/c1-3-17-11(8-14-16-17)15-12(9-13)6-4-5-10(2)7-12/h8,10,15H,3-7,9,13H2,1-2H3
InChIKeyJTRPYLBQHIOLTR-UHFFFAOYSA-N
XLogP1.62
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Butylhexyl)triazol-4-amine
CID 123481616
N-[1-(3-ethylcyclobutyl)propan-2-yl]-1-methyltriazol-4-amine
CID 169697024
1-(3,5-Dimethylcyclohexyl)-1H-1,2,3-triazol-4-amine
CID 79529912
1-(3-ethylcyclohexyl)-1H-1,2,3-triazol-4-amine
CID 79531249
1-(3-methylcyclohexyl)-1H-1,2,3-triazol-4-amine
CID 79543082
1-[3-(Aminomethyl)cyclohexyl]triazol-4-amine
CID 112545763
1-[3-(2-Aminoethyl)cyclohexyl]triazol-4-amine
CID 112546084
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethyltriazol-4-amine
CID 114222417
3-ethyl-N-[(4-ethylcyclohexyl)methyl]triazol-4-amine
CID 114222440
3-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-amine
CID 114222457
3-ethyl-N-(4-propylcyclohexyl)triazol-4-amine
CID 114222474
2-N-(3-ethyltriazol-4-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 114222476

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine (CID 114223495) is N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine is CCn1nncc1NC1(CN)CCCC(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine?
The InChIKey is JTRPYLBQHIOLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-17-11(8-14-16-17)15-12(9-13)6-4-5-10(2)7-12/h8,10,15H,3-7,9,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine?
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-ethyltriazol-4-amine is sourced from PubChem (CID 114223495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).