1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine

C22H33N3 — CID 123822464

IUPAC1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine
SMILESCCC/C(=N\CCC(C)N1C=NCC1)C1CCC=C2C=CC=CC21C
InChIInChI=1S/C22H33N3/c1-4-8-21(24-14-12-18(2)25-16-15-23-17-25)20-11-7-10-19-9-5-6-13-22(19,20)3/h5-6,9-10,13,17-18,20H,4,7-8,11-12,14-16H2,1-3H3/b24-21+
InChIKeyRDYXZRRKDPQCTI-DARPEHSRSA-N
MW339.53 g/mol
LogP4.82
Rot. Bonds7

About 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine

1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine (PubChem CID 123822464) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine.

Molecular Properties

Compound Name1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine
PubChem CID123822464
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC Name1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine
SMILESCCC/C(=N\CCC(C)N1C=NCC1)C1CCC=C2C=CC=CC21C
InChIInChI=1S/C22H33N3/c1-4-8-21(24-14-12-18(2)25-16-15-23-17-25)20-11-7-10-19-9-5-6-13-22(19,20)3/h5-6,9-10,13,17-18,20H,4,7-8,11-12,14-16H2,1-3H3/b24-21+
InChIKeyRDYXZRRKDPQCTI-DARPEHSRSA-N
XLogP4.82
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine?
The IUPAC name of 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine (CID 123822464) is 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine.
What is the SMILES notation for 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine?
The canonical SMILES for 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine is CCC/C(=N\CCC(C)N1C=NCC1)C1CCC=C2C=CC=CC21C.
What is the InChIKey of 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine?
The InChIKey is RDYXZRRKDPQCTI-DARPEHSRSA-N. The full InChI is InChI=1S/C22H33N3/c1-4-8-21(24-14-12-18(2)25-16-15-23-17-25)20-11-7-10-19-9-5-6-13-22(19,20)3/h5-6,9-10,13,17-18,20H,4,7-8,11-12,14-16H2,1-3H3/b24-21+.
What are the key properties of 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine?
1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine has a molecular weight of 339.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8a-methyl-2,3-dihydro-1H-naphthalen-1-yl)-N-[3-(4,5-dihydroimidazol-1-yl)butyl]butan-1-imine is sourced from PubChem (CID 123822464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).