2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile

C17H25N3O — CID 62742241

IUPAC2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile
SMILESCC(C)Oc1ncccc1CNC1CCCCCC1C#N
InChIInChI=1S/C17H25N3O/c1-13(2)21-17-15(8-6-10-19-17)12-20-16-9-5-3-4-7-14(16)11-18/h6,8,10,13-14,16,20H,3-5,7,9,12H2,1-2H3
InChIKeyRDXDABXJNUBPIE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.43
Rot. Bonds5

About 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile

2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile (PubChem CID 62742241) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile
PubChem CID62742241
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile
SMILESCC(C)Oc1ncccc1CNC1CCCCCC1C#N
InChIInChI=1S/C17H25N3O/c1-13(2)21-17-15(8-6-10-19-17)12-20-16-9-5-3-4-7-14(16)11-18/h6,8,10,13-14,16,20H,3-5,7,9,12H2,1-2H3
InChIKeyRDXDABXJNUBPIE-UHFFFAOYSA-N
XLogP3.43
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79741488
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
CID 79950310

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile (CID 62742241) is 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile is CC(C)Oc1ncccc1CNC1CCCCCC1C#N.
What is the InChIKey of 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile?
The InChIKey is RDXDABXJNUBPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)21-17-15(8-6-10-19-17)12-20-16-9-5-3-4-7-14(16)11-18/h6,8,10,13-14,16,20H,3-5,7,9,12H2,1-2H3.
What are the key properties of 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile?
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile has a molecular weight of 287.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 62742241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).