N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine

C12H22N4 — CID 107054887

IUPACN-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
SMILESCNC1CCCCC(Cc2cn(C)nn2)C1
InChIInChI=1S/C12H22N4/c1-13-11-6-4-3-5-10(7-11)8-12-9-16(2)15-14-12/h9-11,13H,3-8H2,1-2H3
InChIKeySQXJXQCIFNVTHU-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.53
Rot. Bonds3

About N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine

N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine (PubChem CID 107054887) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
PubChem CID107054887
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine
SMILESCNC1CCCCC(Cc2cn(C)nn2)C1
InChIInChI=1S/C12H22N4/c1-13-11-6-4-3-5-10(7-11)8-12-9-16(2)15-14-12/h9-11,13H,3-8H2,1-2H3
InChIKeySQXJXQCIFNVTHU-UHFFFAOYSA-N
XLogP1.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(1,2,5-thiadiazol-3-ylmethyl)cyclohexan-1-amine
CID 131003106
N-methyl-1-[4-methyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059268
2-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-one
CID 107044522
1-(7-bicyclo[4.1.0]heptanyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064594
2-[(1-methyltriazol-4-yl)methyl]cyclohexane-1-carboxylic acid
CID 107058978
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
4-chloro-N-[(1-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 107054010
2-[(1-methyltriazol-4-yl)methyl]cyclopentan-1-one
CID 107044513
4-ethyl-2-[(1-methyltriazol-4-yl)methyl]piperidine
CID 107054467
4-cyclohexyl-1-(1-methyltriazol-4-yl)butan-2-one
CID 107063124
(3R)-N-[(1-methyltriazol-4-yl)methyl]oxan-3-amine
CID 130670945
1-cyclopropyl-N-methyl-3-(1-methyltriazol-4-yl)propan-1-amine
CID 107044720

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine?
The IUPAC name of N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine (CID 107054887) is N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine is CNC1CCCCC(Cc2cn(C)nn2)C1.
What is the InChIKey of N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine?
The InChIKey is SQXJXQCIFNVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-13-11-6-4-3-5-10(7-11)8-12-9-16(2)15-14-12/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine?
N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine has a molecular weight of 222.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(1-methyltriazol-4-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 107054887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).