(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine

C7H14N2 — CID 142890314

IUPAC(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine
SMILESC=NN(C)C/C(C)=C/C
InChIInChI=1S/C7H14N2/c1-5-7(2)6-9(4)8-3/h5H,3,6H2,1-2,4H3/b7-5+
InChIKeyBEQOAZXZATVJIU-FNORWQNLSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds3

About (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine

(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine (PubChem CID 142890314) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine
PubChem CID142890314
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine
SMILESC=NN(C)C/C(C)=C/C
InChIInChI=1S/C7H14N2/c1-5-7(2)6-9(4)8-3/h5H,3,6H2,1-2,4H3/b7-5+
InChIKeyBEQOAZXZATVJIU-FNORWQNLSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

carbanide;N,N,2-trimethylbut-2-en-1-amine;yttrium
CID 58133141
N-methyl-2-methylidene-N-(methylideneamino)butan-1-amine
CID 155350403
(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine
CID 5364995
2-methyl-N,N-bis(prop-2-enyl)but-2-en-1-amine
CID 87439385
N-methyl-N-[[(E)-2-methylbut-2-enyl]amino]-N'-(methylideneamino)methanimidamide
CID 146439180
(1R,10S)-N-butylsulfanyl-5-ethyltricyclo[8.2.1.03,8]trideca-3(8),4,6-trien-13-amine;(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine;3-fluorobut-1-ene
CID 142890312
N-[(1Z,4Z)-4-methylhexa-1,4-dienyl]methanimine
CID 143298314
1-[(methylideneamino)-oxidoamino]propan-2-one
CID 163707882
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
3-[methyl-(methylideneamino)amino]propanoic acid
CID 144525641
(Z)-3-methylpent-2-ene;(E)-3-methylpent-2-ene
CID 44630372
ethane;N-ethenyl-N,N'-dimethylethanimidamide
CID 143394266

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine (CID 142890314) is (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine is C=NN(C)C/C(C)=C/C.
What is the InChIKey of (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine?
The InChIKey is BEQOAZXZATVJIU-FNORWQNLSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-7(2)6-9(4)8-3/h5H,3,6H2,1-2,4H3/b7-5+.
What are the key properties of (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine?
(E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-(methylideneamino)but-2-en-1-amine is sourced from PubChem (CID 142890314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).