N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine

C15H28N4O — CID 56711389

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCCn1cnnc1CCNC1CCCC(C)(C)C1
InChIInChI=1S/C15H28N4O/c1-15(2)7-4-5-13(11-15)16-8-6-14-18-17-12-19(14)9-10-20-3/h12-13,16H,4-11H2,1-3H3
InChIKeyPCVZMZGTYVIMEM-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.03
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine (PubChem CID 56711389) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine
PubChem CID56711389
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine
SMILESCOCCn1cnnc1CCNC1CCCC(C)(C)C1
InChIInChI=1S/C15H28N4O/c1-15(2)7-4-5-13(11-15)16-8-6-14-18-17-12-19(14)9-10-20-3/h12-13,16H,4-11H2,1-3H3
InChIKeyPCVZMZGTYVIMEM-UHFFFAOYSA-N
XLogP2.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine (CID 56711389) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine is COCCn1cnnc1CCNC1CCCC(C)(C)C1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine?
The InChIKey is PCVZMZGTYVIMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-15(2)7-4-5-13(11-15)16-8-6-14-18-17-12-19(14)9-10-20-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 56711389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).