3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine

C11H20N4 — CID 103991470

IUPAC3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCc1nc(CCNC2CCC(C)C2)n[nH]1
InChIInChI=1S/C11H20N4/c1-8-3-4-10(7-8)12-6-5-11-13-9(2)14-15-11/h8,10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVHFOBBDHWNAMGU-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.43
Rot. Bonds4

About 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine

3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine (PubChem CID 103991470) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
PubChem CID103991470
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine
SMILESCc1nc(CCNC2CCC(C)C2)n[nH]1
InChIInChI=1S/C11H20N4/c1-8-3-4-10(7-8)12-6-5-11-13-9(2)14-15-11/h8,10,12H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyVHFOBBDHWNAMGU-UHFFFAOYSA-N
XLogP1.43
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]cyclopentan-1-amine
CID 103698869
4-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclohexan-1-amine
CID 62581569
3-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 114544080
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 115653182
4-methoxy-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 104530567
3-methyl-N-[2-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 64500281
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]oxolan-3-amine
CID 115891208
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-(azetidin-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 130921273
cis-(1R,3S)-N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 95368704
N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2H-tetrazol-5-amine
CID 164651689

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine (CID 103991470) is 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine is Cc1nc(CCNC2CCC(C)C2)n[nH]1.
What is the InChIKey of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
The InChIKey is VHFOBBDHWNAMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8-3-4-10(7-8)12-6-5-11-13-9(2)14-15-11/h8,10,12H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine?
3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 103991470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).