N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine

C7H11N — CID 144525686

IUPACN-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine
SMILESC=NC(=C)/C(C)=C\C
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,3-4H2,1-2H3/b6-5-
InChIKeyMVLMGIPXQHHTDX-WAYWQWQTSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine

N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine (PubChem CID 144525686) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine
PubChem CID144525686
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine
SMILESC=NC(=C)/C(C)=C\C
InChIInChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,3-4H2,1-2H3/b6-5-
InChIKeyMVLMGIPXQHHTDX-WAYWQWQTSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-[(1E,3Z)-1-fluoro-3-methylpenta-1,3-dienyl]methanimine
CID 154931880
N-[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]methanimine
CID 169683378
N-(3-methylbuta-1,3-dien-2-yl)methanimine
CID 58825943
N-penta-1,3-dien-2-ylmethanimine
CID 86063273
N-[(2Z)-3-methylpenta-2,4-dien-2-yl]methanimine
CID 87525876
N-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]methanimine
CID 89325079
N-[(5Z)-4-[(Z)-prop-1-enyl]hepta-1,3,5-trien-3-yl]methanimine
CID 89502555
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 89899366
N-(3-methylpenta-1,3-dien-2-yl)ethanimine
CID 91483413
N-[(3E)-penta-1,3-dien-2-yl]methanimine
CID 101767236
N-[(3Z,5E)-5-ethylhepta-1,3,5-trien-4-yl]methanimine
CID 118616451

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine?
The IUPAC name of N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine (CID 144525686) is N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine.
What is the SMILES notation for N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine?
The canonical SMILES for N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine is C=NC(=C)/C(C)=C\C.
What is the InChIKey of N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine?
The InChIKey is MVLMGIPXQHHTDX-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11N/c1-5-6(2)7(3)8-4/h5H,3-4H2,1-2H3/b6-5-.
What are the key properties of N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine?
N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-methylpenta-1,3-dien-2-yl]methanimine is sourced from PubChem (CID 144525686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).