N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine

C9H20N2 — CID 142276729

IUPACN'-butyl-N'-ethenyl-N,N-dimethylmethanediamine
SMILESC=CN(CCCC)CN(C)C
InChIInChI=1S/C9H20N2/c1-5-7-8-11(6-2)9-10(3)4/h6H,2,5,7-9H2,1,3-4H3
InChIKeyBTIGOCVPUWEKAO-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.75
Rot. Bonds6

About N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine

N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine (PubChem CID 142276729) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine.

Molecular Properties

Compound NameN'-butyl-N'-ethenyl-N,N-dimethylmethanediamine
PubChem CID142276729
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-butyl-N'-ethenyl-N,N-dimethylmethanediamine
SMILESC=CN(CCCC)CN(C)C
InChIInChI=1S/C9H20N2/c1-5-7-8-11(6-2)9-10(3)4/h6H,2,5,7-9H2,1,3-4H3
InChIKeyBTIGOCVPUWEKAO-UHFFFAOYSA-N
XLogP1.75
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-ethenylpentan-1-amine
CID 154960223
N-ethenyl-N-(2-methoxyethyl)butan-1-amine
CID 143533953
1-butyl-1-ethenyl-2,2-dimethylhydrazine
CID 138623252
N,N-dimethylbutan-1-amine;dihydrochloride
CID 174248401
N,N,N',N'-tetrabutylbuta-1,3-diene-1,4-diamine
CID 154124490
1,1-dibutyl-2,2-bis(prop-2-enyl)hydrazine
CID 57432921
N'-hept-1-en-3-yl-N,N,N'-trimethylmethanediamine
CID 146420485
N,N-dimethylbutan-1-amine;ethane;methane
CID 142050981
ethane;N-ethenyl-N-ethylpropan-1-amine
CID 143192910
1,1,2,2-tetrabutylhydrazine;hydrate
CID 172702997
N-butyl-N-octadecylformamide
CID 54030417
N-but-1-en-2-yl-N-methylbutan-1-amine
CID 123604210

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine?
The IUPAC name of N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine (CID 142276729) is N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine.
What is the SMILES notation for N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine?
The canonical SMILES for N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine is C=CN(CCCC)CN(C)C.
What is the InChIKey of N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine?
The InChIKey is BTIGOCVPUWEKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-7-8-11(6-2)9-10(3)4/h6H,2,5,7-9H2,1,3-4H3.
What are the key properties of N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine?
N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine has a molecular weight of 156.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethenyl-N,N-dimethylmethanediamine is sourced from PubChem (CID 142276729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).