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

C14H27N5 — CID 79074801

IUPAC1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)Cc2ncnn2C)(N(C)C)CC1
InChIInChI=1S/C14H27N5/c1-11-5-7-14(8-6-11,18(2)3)12(15)9-13-16-10-17-19(13)4/h10-12H,5-9,15H2,1-4H3
InChIKeyDTWPFIOYSWHVDV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.20
Rot. Bonds4

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

1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79074801) 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,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79074801
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,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(C(N)Cc2ncnn2C)(N(C)C)CC1
InChIInChI=1S/C14H27N5/c1-11-5-7-14(8-6-11,18(2)3)12(15)9-13-16-10-17-19(13)4/h10-12H,5-9,15H2,1-4H3
InChIKeyDTWPFIOYSWHVDV-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79074801) is 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine is CC1CCC(C(N)Cc2ncnn2C)(N(C)C)CC1.
What is the InChIKey of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is DTWPFIOYSWHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-11-5-7-14(8-6-11,18(2)3)12(15)9-13-16-10-17-19(13)4/h10-12H,5-9,15H2,1-4H3.
What are the key properties of 1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 1.20, 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,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).