1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine

C14H27N5 — CID 79080658

IUPAC1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2ncnn2C)CCCCCC1
InChIInChI=1S/C14H27N5/c1-18(2)14(8-6-4-5-7-9-14)12(15)10-13-16-11-17-19(13)3/h11-12H,4-10,15H2,1-3H3
InChIKeyCOYRGEFPCNFTEI-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.34
Rot. Bonds4

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

1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79080658) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79080658
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCN(C)C1(C(N)Cc2ncnn2C)CCCCCC1
InChIInChI=1S/C14H27N5/c1-18(2)14(8-6-4-5-7-9-14)12(15)10-13-16-11-17-19(13)3/h11-12H,4-10,15H2,1-3H3
InChIKeyCOYRGEFPCNFTEI-UHFFFAOYSA-N
XLogP1.34
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074801
N,N-dimethyl-1-[1-(methylamino)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexan-1-amine
CID 79066371
1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997606
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081869
1-[1-hydrazinyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243326
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(1-piperidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242962
1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 114530454
1-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 105243444
1-[1-amino-2-(2,5-dimethylpyrazol-3-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79069976
1-[1-amino-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065984
3-N,3-N,3-trimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butane-2,3-diamine
CID 79052789
1-[1-amino-2-(5-bromo-2-pyridinyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 104803081

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 79080658) is 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine is CN(C)C1(C(N)Cc2ncnn2C)CCCCCC1.
What is the InChIKey of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is COYRGEFPCNFTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-18(2)14(8-6-4-5-7-9-14)12(15)10-13-16-11-17-19(13)3/h11-12H,4-10,15H2,1-3H3.
What are the key properties of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 265.40 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 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79080658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).