3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine

C15H22N2O — CID 107383070

IUPAC3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine
SMILESCC(C)Oc1cncc(C2=CC(N)CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)18-15-8-13(9-17-10-15)12-5-3-4-6-14(16)7-12/h7-11,14H,3-6,16H2,1-2H3
InChIKeyCKOFCTDAZQEOPZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.15
Rot. Bonds3

About 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine

3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine (PubChem CID 107383070) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine.

Molecular Properties

Compound Name3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine
PubChem CID107383070
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine
SMILESCC(C)Oc1cncc(C2=CC(N)CCCC2)c1
InChIInChI=1S/C15H22N2O/c1-11(2)18-15-8-13(9-17-10-15)12-5-3-4-6-14(16)7-12/h7-11,14H,3-6,16H2,1-2H3
InChIKeyCKOFCTDAZQEOPZ-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine?
The IUPAC name of 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine (CID 107383070) is 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine.
What is the SMILES notation for 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine?
The canonical SMILES for 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine is CC(C)Oc1cncc(C2=CC(N)CCCC2)c1.
What is the InChIKey of 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine?
The InChIKey is CKOFCTDAZQEOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)18-15-8-13(9-17-10-15)12-5-3-4-6-14(16)7-12/h7-11,14H,3-6,16H2,1-2H3.
What are the key properties of 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine?
3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propan-2-yloxy-3-pyridinyl)cyclohept-2-en-1-amine is sourced from PubChem (CID 107383070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).