1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine

C15H28N2 — CID 166698492

IUPAC1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine
SMILESC=C(CN(CC)C/C=C/C(=C)C(C)C)NCC
InChIInChI=1S/C15H28N2/c1-7-16-15(6)12-17(8-2)11-9-10-14(5)13(3)4/h9-10,13,16H,5-8,11-12H2,1-4H3/b10-9+
InChIKeyGBTYMALNADLXNL-MDZDMXLPSA-N
MW236.40 g/mol
LogP3.20
Rot. Bonds9

About 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine

1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine (PubChem CID 166698492) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine
PubChem CID166698492
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine
SMILESC=C(CN(CC)C/C=C/C(=C)C(C)C)NCC
InChIInChI=1S/C15H28N2/c1-7-16-15(6)12-17(8-2)11-9-10-14(5)13(3)4/h9-10,13,16H,5-8,11-12H2,1-4H3/b10-9+
InChIKeyGBTYMALNADLXNL-MDZDMXLPSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine with MolForge

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Related Compounds

1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-enyl]hydrazine
CID 155262112
2-N-ethyl-1-N-methyl-1-N-propan-2-ylprop-2-ene-1,2-diamine
CID 134600399
1-[(E)-5-methyl-4-methylidenehex-2-enyl]piperazine
CID 166698613
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
3-(diethylamino)prop-1-en-1-ol
CID 173388883
4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-methylbut-2-enoic acid
CID 77074530
(3E)-N-ethyl-5-methoxypenta-1,3-dien-2-amine
CID 169217501
(3Z,7Z)-2,10-dimethyl-5,6,9-trimethylideneundeca-1,3,7-triene;ethane
CID 143250698
ethane;(3Z)-6-methyl-5-methylidenehepta-1,3-diene;yttrium
CID 177140629
N-ethyl-2-[ethyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetamide
CID 78795286
CID 157169079
CID 157169079
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine (CID 166698492) is 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine is C=C(CN(CC)C/C=C/C(=C)C(C)C)NCC.
What is the InChIKey of 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine?
The InChIKey is GBTYMALNADLXNL-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H28N2/c1-7-16-15(6)12-17(8-2)11-9-10-14(5)13(3)4/h9-10,13,16H,5-8,11-12H2,1-4H3/b10-9+.
What are the key properties of 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine?
1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine has a molecular weight of 236.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-1-N-[(E)-5-methyl-4-methylidenehex-2-enyl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 166698492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).