1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine

C23H28N2 — CID 87493127

IUPAC1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
SMILES[H]/N=C(/c1cc2ccccc2cc1C1=C(CN(C)C)C=CC1)C(C)(C)C
InChIInChI=1S/C23H28N2/c1-23(2,3)22(24)21-14-17-10-7-6-9-16(17)13-20(21)19-12-8-11-18(19)15-25(4)5/h6-11,13-14,24H,12,15H2,1-5H3/b24-22-
InChIKeySAGQBXKBJNUBBF-GYHWCHFESA-N
MW332.49 g/mol
LogP5.53
Rot. Bonds4

About 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine

1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 87493127) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID87493127
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Name1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
SMILES[H]/N=C(/c1cc2ccccc2cc1C1=C(CN(C)C)C=CC1)C(C)(C)C
InChIInChI=1S/C23H28N2/c1-23(2,3)22(24)21-14-17-10-7-6-9-16(17)13-20(21)19-12-8-11-18(19)15-25(4)5/h6-11,13-14,24H,12,15H2,1-5H3/b24-22-
InChIKeySAGQBXKBJNUBBF-GYHWCHFESA-N
XLogP5.53
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine (CID 87493127) is 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine is [H]/N=C(/c1cc2ccccc2cc1C1=C(CN(C)C)C=CC1)C(C)(C)C.
What is the InChIKey of 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is SAGQBXKBJNUBBF-GYHWCHFESA-N. The full InChI is InChI=1S/C23H28N2/c1-23(2,3)22(24)21-14-17-10-7-6-9-16(17)13-20(21)19-12-8-11-18(19)15-25(4)5/h6-11,13-14,24H,12,15H2,1-5H3/b24-22-.
What are the key properties of 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine?
1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 332.49 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2,2-dimethylpropanimidoyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 87493127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).