(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine

C10H18N2 — CID 142108612

IUPAC(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine
SMILESC=N/C=C(/CNC(C)C)C(=C)C
InChIInChI=1S/C10H18N2/c1-8(2)10(6-11-5)7-12-9(3)4/h6,9,12H,1,5,7H2,2-4H3/b10-6-
InChIKeyVRWBXNOWRCYPOD-POHAHGRESA-N
MW166.27 g/mol
LogP2.14
Rot. Bonds5

About (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine

(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine (PubChem CID 142108612) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound Name(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine
PubChem CID142108612
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine
SMILESC=N/C=C(/CNC(C)C)C(=C)C
InChIInChI=1S/C10H18N2/c1-8(2)10(6-11-5)7-12-9(3)4/h6,9,12H,1,5,7H2,2-4H3/b10-6-
InChIKeyVRWBXNOWRCYPOD-POHAHGRESA-N
XLogP2.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.14
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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Related Compounds

N'-[(E)-4-(ethylamino)-3-methylbut-3-en-2-yl]methanimidamide
CID 90452795
N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine
CID 90739426
(2E)-N-butyl-2-[(ethylideneamino)methylidene]but-3-en-1-amine
CID 90747180
3-methyl-2-[(3-methylbutylideneamino)methylidene]-N-propan-2-ylbutan-1-amine
CID 123336595
Methyl-methylidene-[3-methyl-4-(2-methylpropylamino)but-3-en-2-yl]azanium
CID 123577203
(Z)-N-methyl-2-(methylideneamino)-N'-propan-2-ylpent-1-ene-1,5-diamine
CID 126488966
N'-[(E)-2-methyl-3-(propan-2-ylamino)prop-1-enyl]methanimidamide
CID 130216393
(2Z)-N-ethyl-2-[(methylideneamino)methylidene]butan-1-amine
CID 135268748
N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine
CID 137383028
N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine
CID 137427377
(Z)-4-(ethylideneamino)-2-methylidene-N-propan-2-ylbut-3-en-1-amine
CID 137512127
(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane
CID 143019513

Frequently Asked Questions

What is the IUPAC name of (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine?
The IUPAC name of (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine (CID 142108612) is (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine is C=N/C=C(/CNC(C)C)C(=C)C.
What is the InChIKey of (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine?
The InChIKey is VRWBXNOWRCYPOD-POHAHGRESA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)10(6-11-5)7-12-9(3)4/h6,9,12H,1,5,7H2,2-4H3/b10-6-.
What are the key properties of (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine?
(2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-2-[(methylideneamino)methylidene]-N-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 142108612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).