(3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine

C10H18N4 — CID 130602793

IUPAC(3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine
SMILESCC1CCC(C(N)c2cn(C)nn2)C1
InChIInChI=1S/C10H18N4/c1-7-3-4-8(5-7)10(11)9-6-14(2)13-12-9/h6-8,10H,3-5,11H2,1-2H3
InChIKeyOIVFZPXPUYRWDB-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.25
Rot. Bonds2

About (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine

(3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine (PubChem CID 130602793) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine
PubChem CID130602793
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine
SMILESCC1CCC(C(N)c2cn(C)nn2)C1
InChIInChI=1S/C10H18N4/c1-7-3-4-8(5-7)10(11)9-6-14(2)13-12-9/h6-8,10H,3-5,11H2,1-2H3
InChIKeyOIVFZPXPUYRWDB-UHFFFAOYSA-N
XLogP1.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine?
The IUPAC name of (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine (CID 130602793) is (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine?
The canonical SMILES for (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine is CC1CCC(C(N)c2cn(C)nn2)C1.
What is the InChIKey of (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine?
The InChIKey is OIVFZPXPUYRWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7-3-4-8(5-7)10(11)9-6-14(2)13-12-9/h6-8,10H,3-5,11H2,1-2H3.
What are the key properties of (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine?
(3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)-(1-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 130602793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).