1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine

C13H24N4O — CID 114202271

IUPAC1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine
SMILESCOC1CCCC(n2cc(C(N)C(C)C)nn2)C1
InChIInChI=1S/C13H24N4O/c1-9(2)13(14)12-8-17(16-15-12)10-5-4-6-11(7-10)18-3/h8-11,13H,4-7,14H2,1-3H3
InChIKeyGIYYZFXXHFDFPH-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.06
Rot. Bonds4

About 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine

1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine (PubChem CID 114202271) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine
PubChem CID114202271
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine
SMILESCOC1CCCC(n2cc(C(N)C(C)C)nn2)C1
InChIInChI=1S/C13H24N4O/c1-9(2)13(14)12-8-17(16-15-12)10-5-4-6-11(7-10)18-3/h8-11,13H,4-7,14H2,1-3H3
InChIKeyGIYYZFXXHFDFPH-UHFFFAOYSA-N
XLogP2.06
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine (CID 114202271) is 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine is COC1CCCC(n2cc(C(N)C(C)C)nn2)C1.
What is the InChIKey of 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is GIYYZFXXHFDFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)13(14)12-8-17(16-15-12)10-5-4-6-11(7-10)18-3/h8-11,13H,4-7,14H2,1-3H3.
What are the key properties of 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine?
1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxycyclohexyl)triazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 114202271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).