6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine

C24H29N2O+ — CID 23815946

IUPAC6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine
SMILESCOc1ccc(/C=C/c2cc[n+](CCCCCCN)cc2)c2ccccc12
InChIInChI=1S/C24H29N2O/c1-27-24-13-12-21(22-8-4-5-9-23(22)24)11-10-20-14-18-26(19-15-20)17-7-3-2-6-16-25/h4-5,8-15,18-19H,2-3,6-7,16-17,25H2,1H3/q+1/b11-10+
InChIKeyFRKVQRHWTNMBON-ZHACJKMWSA-N
MW361.51 g/mol
LogP4.83
Rot. Bonds9

About 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine

6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine (PubChem CID 23815946) has the molecular formula C24H29N2O+ and a molecular weight of 361.51 g/mol. Its IUPAC name is 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine
PubChem CID23815946
Molecular FormulaC24H29N2O+
Molecular Weight361.51 g/mol
Exact Mass361.23
IUPAC Name6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine
SMILESCOc1ccc(/C=C/c2cc[n+](CCCCCCN)cc2)c2ccccc12
InChIInChI=1S/C24H29N2O/c1-27-24-13-12-21(22-8-4-5-9-23(22)24)11-10-20-14-18-26(19-15-20)17-7-3-2-6-16-25/h4-5,8-15,18-19H,2-3,6-7,16-17,25H2,1H3/q+1/b11-10+
InChIKeyFRKVQRHWTNMBON-ZHACJKMWSA-N
XLogP4.83
TPSA39.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine?
The IUPAC name of 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine (CID 23815946) is 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine.
What is the SMILES notation for 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine?
The canonical SMILES for 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine is COc1ccc(/C=C/c2cc[n+](CCCCCCN)cc2)c2ccccc12.
What is the InChIKey of 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine?
The InChIKey is FRKVQRHWTNMBON-ZHACJKMWSA-N. The full InChI is InChI=1S/C24H29N2O/c1-27-24-13-12-21(22-8-4-5-9-23(22)24)11-10-20-14-18-26(19-15-20)17-7-3-2-6-16-25/h4-5,8-15,18-19H,2-3,6-7,16-17,25H2,1H3/q+1/b11-10+.
What are the key properties of 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine?
6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine has a molecular weight of 361.51 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]pyridin-1-ium-1-yl]hexan-1-amine is sourced from PubChem (CID 23815946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).