ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine

C21H40N4 — CID 143342014

IUPACethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
SMILESC=C.C=C.C=C(CC)CN(C)C(=C\C)/N=C(\CCC)C(=C)N.C=CN
InChIInChI=1S/C15H27N3.C2H5N.2C2H4/c1-7-10-14(13(5)16)17-15(9-3)18(6)11-12(4)8-2;1-2-3;2*1-2/h9H,4-5,7-8,10-11,16H2,1-3,6H3;2H,1,3H2;2*1-2H2/b15-9-,17-14+;;;
InChIKeySCVNFLGYVWYOPR-MWSZXKOPSA-N
MW348.58 g/mol
LogP5.15
Rot. Bonds8

About ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine

ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine (PubChem CID 143342014) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine.

Molecular Properties

Compound Nameethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
PubChem CID143342014
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Nameethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
SMILESC=C.C=C.C=C(CC)CN(C)C(=C\C)/N=C(\CCC)C(=C)N.C=CN
InChIInChI=1S/C15H27N3.C2H5N.2C2H4/c1-7-10-14(13(5)16)17-15(9-3)18(6)11-12(4)8-2;1-2-3;2*1-2/h9H,4-5,7-8,10-11,16H2,1-3,6H3;2H,1,3H2;2*1-2H2/b15-9-,17-14+;;;
InChIKeySCVNFLGYVWYOPR-MWSZXKOPSA-N
XLogP5.15
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.58
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
The IUPAC name of ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine (CID 143342014) is ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine.
What is the SMILES notation for ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
The canonical SMILES for ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine is C=C.C=C.C=C(CC)CN(C)C(=C\C)/N=C(\CCC)C(=C)N.C=CN.
What is the InChIKey of ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
The InChIKey is SCVNFLGYVWYOPR-MWSZXKOPSA-N. The full InChI is InChI=1S/C15H27N3.C2H5N.2C2H4/c1-7-10-14(13(5)16)17-15(9-3)18(6)11-12(4)8-2;1-2-3;2*1-2/h9H,4-5,7-8,10-11,16H2,1-3,6H3;2H,1,3H2;2*1-2H2/b15-9-,17-14+;;;.
What are the key properties of ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine has a molecular weight of 348.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine is sourced from PubChem (CID 143342014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).