N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine

C14H26N4O — CID 146042550

IUPACN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
SMILESCOCCn1cnnc1CN(C)C1CCC(C)(C)C1
InChIInChI=1S/C14H26N4O/c1-14(2)6-5-12(9-14)17(3)10-13-16-15-11-18(13)7-8-19-4/h11-12H,5-10H2,1-4H3
InChIKeyFSHVSQGHPSCAAT-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.93
Rot. Bonds6

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

N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine (PubChem CID 146042550) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
PubChem CID146042550
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
SMILESCOCCn1cnnc1CN(C)C1CCC(C)(C)C1
InChIInChI=1S/C14H26N4O/c1-14(2)6-5-12(9-14)17(3)10-13-16-15-11-18(13)7-8-19-4/h11-12H,5-10H2,1-4H3
InChIKeyFSHVSQGHPSCAAT-UHFFFAOYSA-N
XLogP1.93
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-(2-methoxyethyl)-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62711244
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
CID 74243618
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
3-[(4-bromophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393752
1-(1-benzothiophen-3-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylmethanamine
CID 131902585
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 134705411
1-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]cyclohexane-1-carboxylic acid
CID 62711099

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine?
The IUPAC name of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine (CID 146042550) is N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine.
What is the SMILES notation for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine?
The canonical SMILES for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine is COCCn1cnnc1CN(C)C1CCC(C)(C)C1.
What is the InChIKey of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine?
The InChIKey is FSHVSQGHPSCAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-14(2)6-5-12(9-14)17(3)10-13-16-15-11-18(13)7-8-19-4/h11-12H,5-10H2,1-4H3.
What are the key properties of N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine?
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine has a molecular weight of 266.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine is sourced from PubChem (CID 146042550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).