(E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine

C9H16N2 — CID 174011180

IUPAC(E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine
SMILESC/N=C/C=CN/C=C/C(C)C
InChIInChI=1S/C9H16N2/c1-9(2)5-8-11-7-4-6-10-3/h4-9,11H,1-3H3/b7-4?,8-5+,10-6+
InChIKeyMQFBSGJTIUDBKO-IBMMEECCSA-N
MW152.24 g/mol
LogP1.96
Rot. Bonds4

About (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine

(E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine (PubChem CID 174011180) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine
PubChem CID174011180
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine
SMILESC/N=C/C=CN/C=C/C(C)C
InChIInChI=1S/C9H16N2/c1-9(2)5-8-11-7-4-6-10-3/h4-9,11H,1-3H3/b7-4?,8-5+,10-6+
InChIKeyMQFBSGJTIUDBKO-IBMMEECCSA-N
XLogP1.96
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-1-fluoro-N-[(Z)-3-methyliminoprop-1-enyl]penta-1,4-dien-1-amine
CID 130181904
(Z)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 10606703
N-(3-methylamino-2-propenylidene)methylamine
CID 85203886
(1Z,4E)-N-[[(Z)-ethylideneamino]methyl]-5-fluoro-3-methylpenta-1,4-dien-1-amine
CID 142308838
(E)-N-methyl-3-methyliminoprop-1-en-1-amine
CID 12425496
[(2E)-3,7-dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 54465705
Methyl-[5-methyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]azanium
CID 59937465
N,5-dimethyl-9-methyliminonona-1,3,5,7-tetraen-1-amine
CID 59937466
[4,5-Dimethyl-9-(methylamino)nona-2,4,6,8-tetraenylidene]-methylazanium
CID 59962901
2-(2,4-dimethylpentan-3-ylidene)-1H-pyrimidine
CID 68354025
2-tert-butyl-1H-1,4-diazepine
CID 69568738
(2E)-2-but-3-en-2-ylidene-1H-pyrimidine
CID 88579811

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine?
The IUPAC name of (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine (CID 174011180) is (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine.
What is the SMILES notation for (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine?
The canonical SMILES for (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine is C/N=C/C=CN/C=C/C(C)C.
What is the InChIKey of (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine?
The InChIKey is MQFBSGJTIUDBKO-IBMMEECCSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)5-8-11-7-4-6-10-3/h4-9,11H,1-3H3/b7-4?,8-5+,10-6+.
What are the key properties of (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine?
(E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-(3-methyliminoprop-1-enyl)but-1-en-1-amine is sourced from PubChem (CID 174011180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).