4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine

C22H26N2 — CID 23015478

IUPAC4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
SMILESCCCC/N=C/c1c(C2=CC(N(C)C)=CC2)ccc2ccccc12
InChIInChI=1S/C22H26N2/c1-4-5-14-23-16-22-20-9-7-6-8-17(20)11-13-21(22)18-10-12-19(15-18)24(2)3/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3/b23-16+
InChIKeyVDKBQEGZJFKSDP-XQNSMLJCSA-N
MW318.46 g/mol
LogP5.29
Rot. Bonds6

About 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine

4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine (PubChem CID 23015478) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
PubChem CID23015478
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
SMILESCCCC/N=C/c1c(C2=CC(N(C)C)=CC2)ccc2ccccc12
InChIInChI=1S/C22H26N2/c1-4-5-14-23-16-22-20-9-7-6-8-17(20)11-13-21(22)18-10-12-19(15-18)24(2)3/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3/b23-16+
InChIKeyVDKBQEGZJFKSDP-XQNSMLJCSA-N
XLogP5.29
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine with MolForge

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Related Compounds

1-[4-[1-(butyliminomethyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 68544297
1-(pentyliminomethyl)naphthalen-2-ol
CID 137231972
N-[(2-cyclopenta-1,3-dien-1-ylnaphthalen-1-yl)methylideneamino]aniline
CID 68547599
N-[(E)-[2-[2-(dimethylamino)cyclopenta-1,3-dien-1-yl]naphthalen-1-yl]methylideneamino]aniline
CID 23015221
N-[[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]methylideneamino]aniline
CID 68551918
3-(anthracen-9-ylmethylideneamino)propan-1-ol
CID 4598040
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
heptane;phenanthrene
CID 157482146
3-(butyliminomethyl)-N,N-dimethyl-4-(2-methylcyclopenta-1,3-dien-1-yl)aniline
CID 91527407
N-butyl-1-[2-(4-chlorophenyl)-1H-indol-3-yl]methanimine
CID 139216022
N-butyl-1-cyclopenta-1,3-dien-1-ylmethanimine
CID 163616597
1-(2-bromophenyl)-N-butylmethanimine
CID 67388948

Frequently Asked Questions

What is the IUPAC name of 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine (CID 23015478) is 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine is CCCC/N=C/c1c(C2=CC(N(C)C)=CC2)ccc2ccccc12.
What is the InChIKey of 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The InChIKey is VDKBQEGZJFKSDP-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H26N2/c1-4-5-14-23-16-22-20-9-7-6-8-17(20)11-13-21(22)18-10-12-19(15-18)24(2)3/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3/b23-16+.
What are the key properties of 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine has a molecular weight of 318.46 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(butyliminomethyl)naphthalen-2-yl]-N,N-dimethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 23015478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).