4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde

C15H17NO — CID 149149897

IUPAC4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde
SMILESCC(C)NCc1ccc(C=O)c2ccccc12
InChIInChI=1S/C15H17NO/c1-11(2)16-9-12-7-8-13(10-17)15-6-4-3-5-14(12)15/h3-8,10-11,16H,9H2,1-2H3
InChIKeyXACSAOXWUDHPKZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.15
Rot. Bonds4

About 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde

4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde (PubChem CID 149149897) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde
PubChem CID149149897
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde
SMILESCC(C)NCc1ccc(C=O)c2ccccc12
InChIInChI=1S/C15H17NO/c1-11(2)16-9-12-7-8-13(10-17)15-6-4-3-5-14(12)15/h3-8,10-11,16H,9H2,1-2H3
InChIKeyXACSAOXWUDHPKZ-UHFFFAOYSA-N
XLogP3.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-formylnaphthalen-1-yl)propyl]naphthalene-1-carbaldehyde
CID 101016058
4-[(1S)-1-hydroxy-3-methylbutyl]naphthalene-1-carbaldehyde
CID 129391624
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
4-(1-hydroxy-2-methylpropyl)naphthalene-1-carbaldehyde
CID 22999338
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(4-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutan-2-amine
CID 104827856
N-[(4-fluoronaphthalen-1-yl)methyl]butan-2-amine
CID 114088251
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
methyl 4-formylnaphthalene-1-carboxylate
CID 10330854
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
4-acetylnaphthalene-1-carbaldehyde
CID 59092057
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde?
The IUPAC name of 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde (CID 149149897) is 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde is CC(C)NCc1ccc(C=O)c2ccccc12.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde?
The InChIKey is XACSAOXWUDHPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(2)16-9-12-7-8-13(10-17)15-6-4-3-5-14(12)15/h3-8,10-11,16H,9H2,1-2H3.
What are the key properties of 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde?
4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde has a molecular weight of 227.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 149149897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).