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

N-[1-(aminomethyl)-3-methylcyclohexyl]-4-ethyl-1,3-thiazol-2-amine
CID 63759085
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-[1-(aminomethyl)-3-methylcyclohexyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 63759270
N-[1-(aminomethyl)-3-methylcyclohexyl]-5-bromo-3-methylpyridin-2-amine
CID 79718564
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-methylpyrazin-2-one
CID 63760024
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 63761629
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
[3-methyl-1-[(3-methyltriazol-4-yl)methylamino]cyclohexyl]methanol
CID 113483028
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775

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).