(2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal

C10H18N2O — CID 137383776

IUPAC(2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal
SMILESC/C(=C/C(C)=C(\C=O)CN)N(C)C
InChIInChI=1S/C10H18N2O/c1-8(10(6-11)7-13)5-9(2)12(3)4/h5,7H,6,11H2,1-4H3/b9-5-,10-8-
InChIKeyDIOAQYXRYRWNNK-UDRCNDPASA-N
MW182.27 g/mol
LogP0.93
Rot. Bonds4

About (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal

(2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal (PubChem CID 137383776) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal.

Molecular Properties

Compound Name(2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal
PubChem CID137383776
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal
SMILESC/C(=C/C(C)=C(\C=O)CN)N(C)C
InChIInChI=1S/C10H18N2O/c1-8(10(6-11)7-13)5-9(2)12(3)4/h5,7H,6,11H2,1-4H3/b9-5-,10-8-
InChIKeyDIOAQYXRYRWNNK-UDRCNDPASA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal?
The IUPAC name of (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal (CID 137383776) is (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal.
What is the SMILES notation for (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal?
The canonical SMILES for (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal is C/C(=C/C(C)=C(\C=O)CN)N(C)C.
What is the InChIKey of (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal?
The InChIKey is DIOAQYXRYRWNNK-UDRCNDPASA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(10(6-11)7-13)5-9(2)12(3)4/h5,7H,6,11H2,1-4H3/b9-5-,10-8-.
What are the key properties of (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal?
(2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal has a molecular weight of 182.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(aminomethyl)-5-(dimethylamino)-3-methylhexa-2,4-dienal is sourced from PubChem (CID 137383776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).