N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine

C9H16N2 — CID 174103699

IUPACN-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine
SMILESC=CNC=C(/C=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-5-11-7-9(6-10-4)8(2)3/h5-8,11H,1H2,2-4H3/b9-7?,10-6+
InChIKeyQACQJVMWLAHCBA-CWIDIXFLSA-N
MW152.24 g/mol
LogP1.96
Rot. Bonds4

About N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine

N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine (PubChem CID 174103699) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine
PubChem CID174103699
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine
SMILESC=CNC=C(/C=N/C)C(C)C
InChIInChI=1S/C9H16N2/c1-5-11-7-9(6-10-4)8(2)3/h5-8,11H,1H2,2-4H3/b9-7?,10-6+
InChIKeyQACQJVMWLAHCBA-CWIDIXFLSA-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

(Z)-N,3-dimethyl-2-(methyliminomethyl)but-1-en-1-amine
CID 142329757
ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
CID 169242531
(E)-1-N-ethenylprop-1-ene-1,2-diamine
CID 142054604
N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]propan-2-imine
CID 91546308
N-methyl-3-(methyliminomethyl)hex-3-en-2-amine
CID 123203381
(E)-2-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 163527626
1-N,3-dimethylbutane-1,2-diimine
CID 123957798
(1Z,3Z)-N-(methylideneamino)-2-propan-2-ylpenta-1,3-dien-1-amine
CID 155407635
(3E,5R,6R)-6-(methylamino)-4-(methyliminomethyl)nona-1,3-dien-5-ol
CID 167118087
ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
CID 144970666
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine
CID 170730716

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine?
The IUPAC name of N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine (CID 174103699) is N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine.
What is the SMILES notation for N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine?
The canonical SMILES for N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine is C=CNC=C(/C=N/C)C(C)C.
What is the InChIKey of N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine?
The InChIKey is QACQJVMWLAHCBA-CWIDIXFLSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-11-7-9(6-10-4)8(2)3/h5-8,11H,1H2,2-4H3/b9-7?,10-6+.
What are the key properties of N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine?
N-ethenyl-3-methyl-2-(methyliminomethyl)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 N-ethenyl-3-methyl-2-(methyliminomethyl)but-1-en-1-amine is sourced from PubChem (CID 174103699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).