4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde

C14H21NO — CID 22611145

IUPAC4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde
SMILESCC(C)N(C=C1C=CC(C=O)C=C1)C(C)C
InChIInChI=1S/C14H21NO/c1-11(2)15(12(3)4)9-13-5-7-14(10-16)8-6-13/h5-12,14H,1-4H3/b13-9-
InChIKeyKXKDJBQUPQAGKM-LCYFTJDESA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds4

About 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde

4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde (PubChem CID 22611145) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde.

Molecular Properties

Compound Name4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde
PubChem CID22611145
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde
SMILESCC(C)N(C=C1C=CC(C=O)C=C1)C(C)C
InChIInChI=1S/C14H21NO/c1-11(2)15(12(3)4)9-13-5-7-14(10-16)8-6-13/h5-12,14H,1-4H3/b13-9-
InChIKeyKXKDJBQUPQAGKM-LCYFTJDESA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde?
The IUPAC name of 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde (CID 22611145) is 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde.
What is the SMILES notation for 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde?
The canonical SMILES for 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde is CC(C)N(C=C1C=CC(C=O)C=C1)C(C)C.
What is the InChIKey of 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde?
The InChIKey is KXKDJBQUPQAGKM-LCYFTJDESA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)15(12(3)4)9-13-5-7-14(10-16)8-6-13/h5-12,14H,1-4H3/b13-9-.
What are the key properties of 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde?
4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde has a molecular weight of 219.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[di(propan-2-yl)amino]methylidene]cyclohexa-2,5-diene-1-carbaldehyde is sourced from PubChem (CID 22611145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).