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

C7H12N2 — CID 142154774

IUPAC(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\N=C)CNC
InChIInChI=1S/C7H12N2/c1-4-7(5-8-2)6-9-3/h4-5,9H,1-2,6H2,3H3/b7-5+
InChIKeyBPMPQERVIIBVHC-FNORWQNLSA-N
MW124.19 g/mol
LogP0.98
Rot. Bonds4

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

(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine (PubChem CID 142154774) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine.

Molecular Properties

Compound Name(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
PubChem CID142154774
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine
SMILESC=C/C(=C\N=C)CNC
InChIInChI=1S/C7H12N2/c1-4-7(5-8-2)6-9-3/h4-5,9H,1-2,6H2,3H3/b7-5+
InChIKeyBPMPQERVIIBVHC-FNORWQNLSA-N
XLogP0.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.98
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

(1Z,4E)-4-fluoro-N-methyl-3-methylidene-5-(methylideneamino)penta-1,4-dien-1-amine
CID 88880534
(E)-2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine
CID 88223784
(Z,3Z)-3-[(methylideneamino)methylidene]pent-1-en-1-amine
CID 89033888
(1Z,3Z)-3-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 89142453
(1Z,3Z)-2-methyl-4-(methylideneamino)buta-1,3-dien-1-amine
CID 90046074
2-ethenyl-N,N,N'-trimethylprop-1-ene-1,3-diamine
CID 91223219
N,2-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine
CID 91285492
N-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine
CID 123334114
(E)-2-[(Z)-2-(methylideneamino)ethenyl]but-2-en-1-amine
CID 126672637
(2E,4Z)-N,2-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine
CID 126762008
(1E,3Z)-2-(methylaminomethyl)buta-1,3-diene-1,4-diamine
CID 129262344
N'-methyl-N-[(1Z)-2-methylbuta-1,3-dienyl]methanimidamide
CID 135264614

Frequently Asked Questions

What is the IUPAC name of (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The IUPAC name of (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine (CID 142154774) is (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine.
What is the SMILES notation for (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The canonical SMILES for (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine is C=C/C(=C\N=C)CNC.
What is the InChIKey of (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
The InChIKey is BPMPQERVIIBVHC-FNORWQNLSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7(5-8-2)6-9-3/h4-5,9H,1-2,6H2,3H3/b7-5+.
What are the key properties of (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine?
(2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine has a molecular weight of 124.19 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-[(methylideneamino)methylidene]but-3-en-1-amine is sourced from PubChem (CID 142154774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).