N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine

C18H27N5 — CID 9115212

IUPACN,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCc2cnn(-c3ccccc3)n2)CCCCC1
InChIInChI=1S/C18H27N5/c1-22(2)18(11-7-4-8-12-18)15-19-13-16-14-20-23(21-16)17-9-5-3-6-10-17/h3,5-6,9-10,14,19H,4,7-8,11-13,15H2,1-2H3
InChIKeyMMPDXNPSNPVODW-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.62
Rot. Bonds6

About N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine

N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 9115212) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine
PubChem CID9115212
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC NameN,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCN(C)C1(CNCc2cnn(-c3ccccc3)n2)CCCCC1
InChIInChI=1S/C18H27N5/c1-22(2)18(11-7-4-8-12-18)15-19-13-16-14-20-23(21-16)17-9-5-3-6-10-17/h3,5-6,9-10,14,19H,4,7-8,11-13,15H2,1-2H3
InChIKeyMMPDXNPSNPVODW-UHFFFAOYSA-N
XLogP2.62
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine (CID 9115212) is N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine is CN(C)C1(CNCc2cnn(-c3ccccc3)n2)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is MMPDXNPSNPVODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-22(2)18(11-7-4-8-12-18)15-19-13-16-14-20-23(21-16)17-9-5-3-6-10-17/h3,5-6,9-10,14,19H,4,7-8,11-13,15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 313.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(2-phenyltriazol-4-yl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 9115212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).