5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine

C10H18N2 — CID 147846149

IUPAC5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine
SMILESC=CC(N)=C(/C=N/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-9(11)8(7-12-5)10(2,3)4/h6-7H,1,11H2,2-5H3/b9-8?,12-7+
InChIKeyKCAJCHAXBFMKCQ-OYTHIZIZSA-N
MW166.27 g/mol
LogP2.13
Rot. Bonds2

About 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine

5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine (PubChem CID 147846149) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine
PubChem CID147846149
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine
SMILESC=CC(N)=C(/C=N/C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-6-9(11)8(7-12-5)10(2,3)4/h6-7H,1,11H2,2-5H3/b9-8?,12-7+
InChIKeyKCAJCHAXBFMKCQ-OYTHIZIZSA-N
XLogP2.13
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine?
The IUPAC name of 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine (CID 147846149) is 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine.
What is the SMILES notation for 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine?
The canonical SMILES for 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine is C=CC(N)=C(/C=N/C)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine?
The InChIKey is KCAJCHAXBFMKCQ-OYTHIZIZSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-9(11)8(7-12-5)10(2,3)4/h6-7H,1,11H2,2-5H3/b9-8?,12-7+.
What are the key properties of 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine?
5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine has a molecular weight of 166.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(methyliminomethyl)hexa-1,3-dien-3-amine is sourced from PubChem (CID 147846149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).