N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

C12H22N4 — CID 43703050

IUPACN-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCC1CCCCC1)c1nncn1C
InChIInChI=1S/C12H22N4/c1-10(12-15-14-9-16(12)2)13-8-11-6-4-3-5-7-11/h9-11,13H,3-8H2,1-2H3
InChIKeyLDMMSMCNJYQCIK-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.05
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine

N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 43703050) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID43703050
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(NCC1CCCCC1)c1nncn1C
InChIInChI=1S/C12H22N4/c1-10(12-15-14-9-16(12)2)13-8-11-6-4-3-5-7-11/h9-11,13H,3-8H2,1-2H3
InChIKeyLDMMSMCNJYQCIK-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
4-(3-ethyl-4H-1,2,4-triazol-4-yl)piperidine
CID 83282897
3-cyclopentyl-8-methyl-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
CID 62585370
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 45829864
N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-4-methoxy-4-methylpentan-2-amine
CID 50961413
N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 56702202
(2-azepan-1-yl-1-methylethyl)[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]amine
CID 56715560
N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(1H-1,2,4-triazol-1-yl)propan-2-amine
CID 56717875

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine (CID 43703050) is N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is CC(NCC1CCCCC1)c1nncn1C.
What is the InChIKey of N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is LDMMSMCNJYQCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(12-15-14-9-16(12)2)13-8-11-6-4-3-5-7-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine?
N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 222.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 43703050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).