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

C11H20N4 — CID 104531281

IUPAC3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ncnc1CNC1CCC(C)(C)C1
InChIInChI=1S/C11H20N4/c1-11(2)5-4-9(6-11)12-7-10-13-8-14-15(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyNVBPQCUYNHNOSW-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.48
Rot. Bonds3

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

3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (PubChem CID 104531281) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
PubChem CID104531281
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
SMILESCn1ncnc1CNC1CCC(C)(C)C1
InChIInChI=1S/C11H20N4/c1-11(2)5-4-9(6-11)12-7-10-13-8-14-15(10)3/h8-9,12H,4-7H2,1-3H3
InChIKeyNVBPQCUYNHNOSW-UHFFFAOYSA-N
XLogP1.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]cyclopentanamine
CID 50954666
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-3-azaspiro[5.5]undecan-9-amine
CID 56718643
(3R*,4S*)-4-cyclopropyl-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-pyrrolidinamine
CID 72882922
(1S)-1-cyclopentyl-N-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 137992965
1-[(1S)-2,2-diethylcyclopropyl]-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 164629936
4,4-Dimethyl-1-(4h-1,2,4-triazol-3-yl)pentan-1-amine
CID 65362660
N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 86801077
N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 91661409
cis-(1R,2S)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 99606384
trans-(1S,2S)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 99606386
trans-(1R,2R)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 99606387
cis-(1S,2R)-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 99606388

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine (CID 104531281) is 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is Cn1ncnc1CNC1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
The InChIKey is NVBPQCUYNHNOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-11(2)5-4-9(6-11)12-7-10-13-8-14-15(10)3/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine?
3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 104531281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).