3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

C11H20N4 — CID 80705359

IUPAC3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ncnc1CC1(N)CCC(C)(C)C1
InChIInChI=1S/C11H20N4/c1-10(2)4-5-11(12,7-10)6-9-13-8-14-15(9)3/h8H,4-7,12H2,1-3H3
InChIKeyZEVZBTMJTQYPHV-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.27
Rot. Bonds2

About 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine

3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 80705359) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID80705359
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ncnc1CC1(N)CCC(C)(C)C1
InChIInChI=1S/C11H20N4/c1-10(2)4-5-11(12,7-10)6-9-13-8-14-15(9)3/h8H,4-7,12H2,1-3H3
InChIKeyZEVZBTMJTQYPHV-UHFFFAOYSA-N
XLogP1.27
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 66025326
4-fluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 112562313
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclobutyl]methanol
CID 66025203
3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 104531281
1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 104802982
5-[[4-(bromomethyl)oxan-4-yl]methyl]-1-methyl-1,2,4-triazole
CID 66049521
1-[(5-ethyl-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80692076
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80705915
N-[(1-methylcyclobutyl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)methanamine
CID 106813197
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]oxolan-3-yl]methanol
CID 114535692
1-[1-(2-methylpropyl)cyclopentyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997606

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 80705359) is 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is Cn1ncnc1CC1(N)CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is ZEVZBTMJTQYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2)4-5-11(12,7-10)6-9-13-8-14-15(9)3/h8H,4-7,12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 80705359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).