4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde

C16H20N2O — CID 89192577

IUPAC4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde
SMILESCNCCCN(C)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C16H20N2O/c1-17-10-5-11-18(2)16-9-8-13(12-19)14-6-3-4-7-15(14)16/h3-4,6-9,12,17H,5,10-11H2,1-2H3
InChIKeyQWXPURWZDMPNLZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.70
Rot. Bonds6

About 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde

4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde (PubChem CID 89192577) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde
PubChem CID89192577
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde
SMILESCNCCCN(C)c1ccc(C=O)c2ccccc12
InChIInChI=1S/C16H20N2O/c1-17-10-5-11-18(2)16-9-8-13(12-19)14-6-3-4-7-15(14)16/h3-4,6-9,12,17H,5,10-11H2,1-2H3
InChIKeyQWXPURWZDMPNLZ-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde?
The IUPAC name of 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde (CID 89192577) is 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde?
The canonical SMILES for 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde is CNCCCN(C)c1ccc(C=O)c2ccccc12.
What is the InChIKey of 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde?
The InChIKey is QWXPURWZDMPNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-10-5-11-18(2)16-9-8-13(12-19)14-6-3-4-7-15(14)16/h3-4,6-9,12,17H,5,10-11H2,1-2H3.
What are the key properties of 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde?
4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde has a molecular weight of 256.35 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(methylamino)propyl]amino]naphthalene-1-carbaldehyde is sourced from PubChem (CID 89192577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).