1-N'-butyl-1-N-methylethene-1,1-diamine;methane

C8H20N2 — CID 159003501

IUPAC1-N'-butyl-1-N-methylethene-1,1-diamine;methane
SMILESC.C=C(NC)NCCCC
InChIInChI=1S/C7H16N2.CH4/c1-4-5-6-9-7(2)8-3;/h8-9H,2,4-6H2,1,3H3;1H4
InChIKeyJRQBZXGLPPYDBV-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.70
Rot. Bonds5

About 1-N'-butyl-1-N-methylethene-1,1-diamine;methane

1-N'-butyl-1-N-methylethene-1,1-diamine;methane (PubChem CID 159003501) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N'-butyl-1-N-methylethene-1,1-diamine;methane.

Molecular Properties

Compound Name1-N'-butyl-1-N-methylethene-1,1-diamine;methane
PubChem CID159003501
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N'-butyl-1-N-methylethene-1,1-diamine;methane
SMILESC.C=C(NC)NCCCC
InChIInChI=1S/C7H16N2.CH4/c1-4-5-6-9-7(2)8-3;/h8-9H,2,4-6H2,1,3H3;1H4
InChIKeyJRQBZXGLPPYDBV-UHFFFAOYSA-N
XLogP1.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 170319243
N-(1-phosphanylethenyl)butan-1-amine
CID 170236223
5-[1-(methylamino)ethenylamino]pentanal
CID 144819749
1-butyl-3-methylurea;hydrochloride
CID 20501295
N-butylhept-1-en-2-amine
CID 170620308
2-[2-[1-(butylamino)ethenylamino]ethylamino]acetic acid
CID 126658440
[butylamino(methylamino)methylidene]-dimethylazanium chloride
CID 172757722
N-butylacetamide;molecular hydrogen
CID 142252069
N-but-1-en-2-ylpentan-1-amine;ethane
CID 177233508
dodecan-4-yl 8-[(8-heptadecan-9-yloxy-8-oxooctyl)-[3-[1-(methylamino)ethenylamino]propyl]amino]octanoate
CID 146180730
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219

Frequently Asked Questions

What is the IUPAC name of 1-N'-butyl-1-N-methylethene-1,1-diamine;methane?
The IUPAC name of 1-N'-butyl-1-N-methylethene-1,1-diamine;methane (CID 159003501) is 1-N'-butyl-1-N-methylethene-1,1-diamine;methane.
What is the SMILES notation for 1-N'-butyl-1-N-methylethene-1,1-diamine;methane?
The canonical SMILES for 1-N'-butyl-1-N-methylethene-1,1-diamine;methane is C.C=C(NC)NCCCC.
What is the InChIKey of 1-N'-butyl-1-N-methylethene-1,1-diamine;methane?
The InChIKey is JRQBZXGLPPYDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.CH4/c1-4-5-6-9-7(2)8-3;/h8-9H,2,4-6H2,1,3H3;1H4.
What are the key properties of 1-N'-butyl-1-N-methylethene-1,1-diamine;methane?
1-N'-butyl-1-N-methylethene-1,1-diamine;methane has a molecular weight of 144.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-butyl-1-N-methylethene-1,1-diamine;methane is sourced from PubChem (CID 159003501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).