acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine

C15H19NO — CID 142942330

IUPACacetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
SMILESCC=O.CNCCc1cccc2ccccc12
InChIInChI=1S/C13H15N.C2H4O/c1-14-10-9-12-7-4-6-11-5-2-3-8-13(11)12;1-2-3/h2-8,14H,9-10H2,1H3;2H,1H3
InChIKeyGUUHJMVFDVKKDO-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.81
Rot. Bonds3

About acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine

acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine (PubChem CID 142942330) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Nameacetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
PubChem CID142942330
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Nameacetaldehyde;N-methyl-2-naphthalen-1-ylethanamine
SMILESCC=O.CNCCc1cccc2ccccc12
InChIInChI=1S/C13H15N.C2H4O/c1-14-10-9-12-7-4-6-11-5-2-3-8-13(11)12;1-2-3/h2-8,14H,9-10H2,1H3;2H,1H3
InChIKeyGUUHJMVFDVKKDO-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.81
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-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
(2-naphthalen-1-ylethylamino)methanol
CID 115229403
N-(2-naphthalen-1-ylethyl)prop-2-yn-1-amine
CID 87606018
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N-methyl-1-naphthalen-1-ylmethanamine
CID 69403999
2-methyl-1-(2-naphthalen-1-ylethylamino)propan-2-ol
CID 115137096
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-(7-methoxynaphthalen-1-yl)-N-methylethanamine
CID 10104723
N-methyl-2-quinolin-5-ylethanamine
CID 76694367
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
CID 69310962
2-naphthalen-1-ylacetaldehyde
CID 12570786

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine?
The IUPAC name of acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine (CID 142942330) is acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine.
What is the SMILES notation for acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine?
The canonical SMILES for acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine is CC=O.CNCCc1cccc2ccccc12.
What is the InChIKey of acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine?
The InChIKey is GUUHJMVFDVKKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N.C2H4O/c1-14-10-9-12-7-4-6-11-5-2-3-8-13(11)12;1-2-3/h2-8,14H,9-10H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine?
acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine has a molecular weight of 229.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;N-methyl-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 142942330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).