N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

C17H32N4 — CID 81033831

IUPACN-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCn1ncnc1CC1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C17H32N4/c1-6-21-16(18-12-20-21)10-15-9-13(2)7-8-14(15)11-19-17(3,4)5/h12-15,19H,6-11H2,1-5H3
InChIKeyGZFJVNACHUZZKA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.28
Rot. Bonds5

About N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine

N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (PubChem CID 81033831) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
PubChem CID81033831
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
SMILESCCn1ncnc1CC1CC(C)CCC1CNC(C)(C)C
InChIInChI=1S/C17H32N4/c1-6-21-16(18-12-20-21)10-15-9-13(2)7-8-14(15)11-19-17(3,4)5/h12-15,19H,6-11H2,1-5H3
InChIKeyGZFJVNACHUZZKA-UHFFFAOYSA-N
XLogP3.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

[4-ethyl-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81012981
2-methyl-N-[[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81028498
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81033829
2-methyl-N-[[2-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 81026838
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
2-methyl-N-[[4-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 81031393
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027307
2-methyl-N-[(4-methyl-2-octylcyclohexyl)methyl]propan-2-amine
CID 81033652
2-[(2-propyl-1,2,4-triazol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 81007785
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109
2-methyl-N-[[4-methyl-2-(2-methylpropyl)cyclohexyl]methyl]propan-2-amine
CID 81031384

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine (CID 81033831) is N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is CCn1ncnc1CC1CC(C)CCC1CNC(C)(C)C.
What is the InChIKey of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
The InChIKey is GZFJVNACHUZZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-6-21-16(18-12-20-21)10-15-9-13(2)7-8-14(15)11-19-17(3,4)5/h12-15,19H,6-11H2,1-5H3.
What are the key properties of N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81033831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).