N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine

C16H22N4 — CID 103907068

IUPACN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCn1cnc(CNC2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C16H22N4/c1-20-12-18-16(19-20)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3
InChIKeyJWSSLIOPXBOPFF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.63
Rot. Bonds4

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

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine (PubChem CID 103907068) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
PubChem CID103907068
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine
SMILESCn1cnc(CNC2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C16H22N4/c1-20-12-18-16(19-20)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3
InChIKeyJWSSLIOPXBOPFF-UHFFFAOYSA-N
XLogP2.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-1,2,4-triazol-3-yl)methyl]thian-4-amine
CID 103884514
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 103884508
4-(2-methylbutan-2-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 103884490
1-[4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidin-1-yl]ethanone
CID 103884564
1-methylsulfonyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-amine
CID 113349407
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 113349402
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpyrrolidin-3-amine
CID 115881375
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
ethyl 4-[(1-methyl-1,2,4-triazol-3-yl)methylamino]piperidine-1-carboxylate
CID 103884572
N-but-2-ynyl-4-phenylcyclohexan-1-amine
CID 115896951
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine?
The IUPAC name of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine (CID 103907068) is N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine is Cn1cnc(CNC2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine?
The InChIKey is JWSSLIOPXBOPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-20-12-18-16(19-20)11-17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,12,14-15,17H,7-11H2,1H3.
What are the key properties of N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine?
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 103907068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).