N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine

C26H37NO — CID 141397917

IUPACN-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine
SMILESCCCCCCCOc1ccc2cc(CNC34CCC(CC3)CC4)ccc2c1
InChIInChI=1S/C26H37NO/c1-2-3-4-5-6-17-28-25-10-9-23-18-22(7-8-24(23)19-25)20-27-26-14-11-21(12-15-26)13-16-26/h7-10,18-19,21,27H,2-6,11-17,20H2,1H3
InChIKeyNMBXLCINFHNZJU-UHFFFAOYSA-N
MW379.59 g/mol
LogP7.00
Rot. Bonds10

About N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine

N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine (PubChem CID 141397917) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine.

Molecular Properties

Compound NameN-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine
PubChem CID141397917
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC NameN-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine
SMILESCCCCCCCOc1ccc2cc(CNC34CCC(CC3)CC4)ccc2c1
InChIInChI=1S/C26H37NO/c1-2-3-4-5-6-17-28-25-10-9-23-18-22(7-8-24(23)19-25)20-27-26-14-11-21(12-15-26)13-16-26/h7-10,18-19,21,27H,2-6,11-17,20H2,1H3
InChIKeyNMBXLCINFHNZJU-UHFFFAOYSA-N
XLogP7.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine with MolForge

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Related Compounds

methyl 4-[(6-heptoxyquinolin-2-yl)methylamino]bicyclo[2.2.2]octane-1-carboxylate
CID 118235945
3-cyclohexyl-1-[(6-heptoxynaphthalen-2-yl)methyl]azetidine
CID 141397915
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
1-methyl-N-[(4-pentoxyphenyl)methyl]cyclohexan-1-amine
CID 63456305
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
4-methyl-N-[(4-pentoxyphenyl)methyl]oxan-4-amine
CID 115758007
2-decoxy-6-(2-propoxypropyl)naphthalene
CID 19933744
2-decoxy-6-(4-pentoxyphenyl)naphthalene
CID 22676996
2,6-bis(6-hexoxynaphthalen-2-yl)anthracene
CID 102033937
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
N-[(3-hexoxyphenyl)methyl]cyclopentanamine
CID 54850259
2-octoxy-6-[2-(6-octoxynaphthalen-2-yl)ethynyl]naphthalene
CID 102591581

Frequently Asked Questions

What is the IUPAC name of N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine?
The IUPAC name of N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine (CID 141397917) is N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine.
What is the SMILES notation for N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine?
The canonical SMILES for N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine is CCCCCCCOc1ccc2cc(CNC34CCC(CC3)CC4)ccc2c1.
What is the InChIKey of N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine?
The InChIKey is NMBXLCINFHNZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37NO/c1-2-3-4-5-6-17-28-25-10-9-23-18-22(7-8-24(23)19-25)20-27-26-14-11-21(12-15-26)13-16-26/h7-10,18-19,21,27H,2-6,11-17,20H2,1H3.
What are the key properties of N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine?
N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine has a molecular weight of 379.59 g/mol, XLogP of 7.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-heptoxynaphthalen-2-yl)methyl]bicyclo[2.2.2]octan-1-amine is sourced from PubChem (CID 141397917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).