1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine

C11H20N2 — CID 139399238

IUPAC1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine
SMILESC=C(NC)NCCCC(=C)C(=C)C
InChIInChI=1S/C11H20N2/c1-9(2)10(3)7-6-8-13-11(4)12-5/h12-13H,1,3-4,6-8H2,2,5H3
InChIKeyMBMZIEKDUGEXBT-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.18
Rot. Bonds7

About 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine

1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine (PubChem CID 139399238) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine
PubChem CID139399238
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine
SMILESC=C(NC)NCCCC(=C)C(=C)C
InChIInChI=1S/C11H20N2/c1-9(2)10(3)7-6-8-13-11(4)12-5/h12-13H,1,3-4,6-8H2,2,5H3
InChIKeyMBMZIEKDUGEXBT-UHFFFAOYSA-N
XLogP2.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1,2-Dihydroimidazol-3-yl)-4-methylidenehexan-1-amine
CID 118037068
1-N'-(4-methylidenehexyl)ethane-1,1-diamine
CID 129131799
1-N'-(6-methyl-5-methylideneheptyl)ethene-1,1-diamine
CID 130280969
N'-(4-methylidenehexyl)methanediamine
CID 130462341
5-ethenyl-N-methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134461848
5-ethenyl-N,N-dimethyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134510719
1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine
CID 137401213
1-N,1-N'-dipentylpent-1-ene-1,1-diamine
CID 139931006
1-N',1-N'-dimethyl-1-N-propylethene-1,1-diamine;2-methylhept-1-ene
CID 142050962
N-methyl-5-propyl-1,2,3,4-tetrahydropyridin-6-amine
CID 142348248
1-N-ethyl-2-methyl-1-N'-oct-1-en-2-ylprop-2-ene-1,1-diamine
CID 142463785
(4S)-1-N-(1-aminoethenyl)-5-methylhex-5-ene-1,4-diamine
CID 144618513

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine?
The IUPAC name of 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine (CID 139399238) is 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine?
The canonical SMILES for 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine is C=C(NC)NCCCC(=C)C(=C)C.
What is the InChIKey of 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine?
The InChIKey is MBMZIEKDUGEXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9(2)10(3)7-6-8-13-11(4)12-5/h12-13H,1,3-4,6-8H2,2,5H3.
What are the key properties of 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine?
1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine has a molecular weight of 180.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N'-(5-methyl-4-methylidenehex-5-enyl)ethene-1,1-diamine is sourced from PubChem (CID 139399238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).