2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine

C18H26N2O — CID 163898974

IUPAC2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine
SMILES[H]/N=C/C1CC2CCC1C2N(C)CCCOc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20(10-5-11-21-16-6-3-2-4-7-16)18-14-8-9-17(18)15(12-14)13-19/h2-4,6-7,13-15,17-19H,5,8-12H2,1H3/b19-13+
InChIKeyQIDDULGAPVBXPB-CPNJWEJPSA-N
MW286.42 g/mol
LogP3.45
Rot. Bonds7

About 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine

2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine (PubChem CID 163898974) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound Name2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine
PubChem CID163898974
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine
SMILES[H]/N=C/C1CC2CCC1C2N(C)CCCOc1ccccc1
InChIInChI=1S/C18H26N2O/c1-20(10-5-11-21-16-6-3-2-4-7-16)18-14-8-9-17(18)15(12-14)13-19/h2-4,6-7,13-15,17-19H,5,8-12H2,1H3/b19-13+
InChIKeyQIDDULGAPVBXPB-CPNJWEJPSA-N
XLogP3.45
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine?
The IUPAC name of 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine (CID 163898974) is 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine is [H]/N=C/C1CC2CCC1C2N(C)CCCOc1ccccc1.
What is the InChIKey of 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine?
The InChIKey is QIDDULGAPVBXPB-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20(10-5-11-21-16-6-3-2-4-7-16)18-14-8-9-17(18)15(12-14)13-19/h2-4,6-7,13-15,17-19H,5,8-12H2,1H3/b19-13+.
What are the key properties of 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine?
2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine has a molecular weight of 286.42 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 163898974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).