1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde

C16H17NO — CID 170496520

IUPAC1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde
SMILESCNCCC=Cc1c(C=O)ccc2ccccc12
InChIInChI=1S/C16H17NO/c1-17-11-5-4-8-16-14(12-18)10-9-13-6-2-3-7-15(13)16/h2-4,6-10,12,17H,5,11H2,1H3
InChIKeyCZUPKTGVRUNLDK-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.28
Rot. Bonds5

About 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde

1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde (PubChem CID 170496520) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde
PubChem CID170496520
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde
SMILESCNCCC=Cc1c(C=O)ccc2ccccc12
InChIInChI=1S/C16H17NO/c1-17-11-5-4-8-16-14(12-18)10-9-13-6-2-3-7-15(13)16/h2-4,6-10,12,17H,5,11H2,1H3
InChIKeyCZUPKTGVRUNLDK-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
CID 170477329
1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde
CID 170487685
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
CID 169476208
S-[3-(2-formylnaphthalen-1-yl)prop-2-enyl] ethanethioate
CID 169457992
4-methyl-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170495666
4-[4-(methylamino)but-1-enyl]naphthalen-1-ol
CID 170496452
4-methoxy-2-[4-(methylamino)but-1-enyl]benzaldehyde
CID 170496009
1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde
CID 165389450
2-ethyl-1-[(E)-hex-1-enyl]naphthalene
CID 166460669
1-(4-bromobut-1-enyl)-2-methylnaphthalene
CID 170498133
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
2-methylnaphthalene-1-carbaldehyde;sulfane
CID 157328712

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde?
The IUPAC name of 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde (CID 170496520) is 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde.
What is the SMILES notation for 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde?
The canonical SMILES for 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde is CNCCC=Cc1c(C=O)ccc2ccccc12.
What is the InChIKey of 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde?
The InChIKey is CZUPKTGVRUNLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17-11-5-4-8-16-14(12-18)10-9-13-6-2-3-7-15(13)16/h2-4,6-10,12,17H,5,11H2,1H3.
What are the key properties of 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde?
1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde has a molecular weight of 239.32 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde is sourced from PubChem (CID 170496520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).