acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine

C10H15NO — CID 143275435

IUPACacetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=CC=C(N)CC=C1.CC=O
InChIInChI=1S/C8H11N.C2H4O/c1-7-3-2-4-8(9)6-5-7;1-2-3/h2-3,5-6H,4,9H2,1H3;2H,1H3
InChIKeyKRGYDNMQKJTULT-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.94
Rot. Bonds

About acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine

acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine (PubChem CID 143275435) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Nameacetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine
PubChem CID143275435
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameacetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine
SMILESCC1=CC=C(N)CC=C1.CC=O
InChIInChI=1S/C8H11N.C2H4O/c1-7-3-2-4-8(9)6-5-7;1-2-3/h2-3,5-6H,4,9H2,1H3;2H,1H3
InChIKeyKRGYDNMQKJTULT-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.94
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-methylcyclohepta-1,3,5-trien-1-amine;molecular hydrogen
CID 143190843
4-propan-2-ylcyclohepta-1,3,5-trien-1-amine
CID 143215023
cyclohepta-1,3,5-triene-1,4-diamine
CID 145013911
acetaldehyde;2-methylcyclohexa-1,3-diene
CID 144635088
4-methylcyclohepta-1,3,5-triene-1-carbonitrile
CID 18343928
4-aminocyclohepta-1,3,6-triene-1-carbonitrile
CID 143822406
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene
CID 91150107
ethane;1-ethoxy-4-methylcyclohepta-1,3,5-triene
CID 164862064
(6Z)-6-ethylidene-2-methylcyclohexa-1,3-diene
CID 163873761
4-methyl-1-propan-2-yloxycyclohepta-1,3,5-triene
CID 171648958
2-trimethylsilylcyclopenta-1,3-diene-1-carbaldehyde
CID 15205236
8-methyl-1-[(Z)-3-(4-methylcyclohepta-1,3,5-trien-1-yl)prop-1-enyl]-3,4-dihydronaphthalene-2-carbaldehyde
CID 143416656

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine?
The IUPAC name of acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine (CID 143275435) is acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine is CC1=CC=C(N)CC=C1.CC=O.
What is the InChIKey of acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine?
The InChIKey is KRGYDNMQKJTULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C2H4O/c1-7-3-2-4-8(9)6-5-7;1-2-3/h2-3,5-6H,4,9H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine?
acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine has a molecular weight of 165.24 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;4-methylcyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143275435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).