1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine

C13H25N5 — CID 114688421

IUPAC1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)c2cnnn2C)CCCCCC1
InChIInChI=1S/C13H25N5/c1-17(2)13(8-6-4-5-7-9-13)12(14)11-10-15-16-18(11)3/h10,12H,4-9,14H2,1-3H3
InChIKeyDWRXOJSPPJVQPU-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.47
Rot. Bonds3

About 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine

1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 114688421) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID114688421
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)c2cnnn2C)CCCCCC1
InChIInChI=1S/C13H25N5/c1-17(2)13(8-6-4-5-7-9-13)12(14)11-10-15-16-18(11)3/h10,12H,4-9,14H2,1-3H3
InChIKeyDWRXOJSPPJVQPU-UHFFFAOYSA-N
XLogP1.47
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 114688405
1-[amino-(3-phenyltriazol-4-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 114688379
1-[amino(pyrimidin-5-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066212
1-[amino-(1-methylimidazol-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069821
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-(1-aminoethyl)-N,N-dimethylcycloheptan-1-amine
CID 79081577
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
N-methyl-1-(3-methyltriazol-4-yl)-1-(1-piperidin-1-ylcyclopentyl)methanamine
CID 114688398
1-[amino-(3-fluoro-4-pyridinyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 113447269
2-(azetidin-1-yl)-1-(3-methyltriazol-4-yl)ethanamine
CID 131011065

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine (CID 114688421) is 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(N)c2cnnn2C)CCCCCC1.
What is the InChIKey of 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is DWRXOJSPPJVQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-17(2)13(8-6-4-5-7-9-13)12(14)11-10-15-16-18(11)3/h10,12H,4-9,14H2,1-3H3.
What are the key properties of 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 251.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-methyltriazol-4-yl)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 114688421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).