3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine

C10H16N2 — CID 138510684

IUPAC3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine
SMILESC=CC(=NC(C)C)/C(C=C)=N/C
InChIInChI=1S/C10H16N2/c1-6-9(11-5)10(7-2)12-8(3)4/h6-8H,1-2H2,3-5H3/b11-9+,12-10+
InChIKeyZWTRFUKPAZKLJY-WGDLNXRISA-N
MW164.25 g/mol
LogP2.28
Rot. Bonds4

About 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine

3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine (PubChem CID 138510684) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine.

Molecular Properties

Compound Name3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine
PubChem CID138510684
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine
SMILESC=CC(=NC(C)C)/C(C=C)=N/C
InChIInChI=1S/C10H16N2/c1-6-9(11-5)10(7-2)12-8(3)4/h6-8H,1-2H2,3-5H3/b11-9+,12-10+
InChIKeyZWTRFUKPAZKLJY-WGDLNXRISA-N
XLogP2.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 21718389
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CID 88939004
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CID 123343256
CID 123343256
CID 123553502
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CID 123670122
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CID 123748386
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CID 123761009
CID 123761009

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine?
The IUPAC name of 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine (CID 138510684) is 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine.
What is the SMILES notation for 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine?
The canonical SMILES for 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine is C=CC(=NC(C)C)/C(C=C)=N/C.
What is the InChIKey of 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine?
The InChIKey is ZWTRFUKPAZKLJY-WGDLNXRISA-N. The full InChI is InChI=1S/C10H16N2/c1-6-9(11-5)10(7-2)12-8(3)4/h6-8H,1-2H2,3-5H3/b11-9+,12-10+.
What are the key properties of 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine?
3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine has a molecular weight of 164.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-4-N-propan-2-ylhexa-1,5-diene-3,4-diimine is sourced from PubChem (CID 138510684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).