N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine

C13H25N5 — CID 114688405

IUPACN,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCNC(c1cnnn1C)C1(N(C)C)CCCCC1
InChIInChI=1S/C13H25N5/c1-14-12(11-10-15-16-18(11)4)13(17(2)3)8-6-5-7-9-13/h10,12,14H,5-9H2,1-4H3
InChIKeyONFYJCGWJGLIHC-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.34
Rot. Bonds4

About N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 114688405) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID114688405
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC NameN,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
SMILESCNC(c1cnnn1C)C1(N(C)C)CCCCC1
InChIInChI=1S/C13H25N5/c1-14-12(11-10-15-16-18(11)4)13(17(2)3)8-6-5-7-9-13/h10,12,14H,5-9H2,1-4H3
InChIKeyONFYJCGWJGLIHC-UHFFFAOYSA-N
XLogP1.34
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114688421
N-methyl-1-(3-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 114688398
N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
CID 79080561
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114689347
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
N-[(1-methylcyclopentyl)-(3-methyltriazol-4-yl)methyl]ethanamine
CID 105043879
N-[(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methyl]propan-1-amine
CID 114689357
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560
1-cyclooctyl-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 114688757
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine (CID 114688405) is N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine is CNC(c1cnnn1C)C1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is ONFYJCGWJGLIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-14-12(11-10-15-16-18(11)4)13(17(2)3)8-6-5-7-9-13/h10,12,14H,5-9H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114688405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).