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

C15H27N3 — CID 143342015

IUPAC(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
SMILESC=C(CC)CN(C)C(=C\C)/N=C(\CCC)C(=C)N
InChIInChI=1S/C15H27N3/c1-7-10-14(13(5)16)17-15(9-3)18(6)11-12(4)8-2/h9H,4-5,7-8,10-11,16H2,1-3,6H3/b15-9-,17-14+
InChIKeyJQUYUEDXPZQKJI-SFCSOGGGSA-N
MW249.40 g/mol
LogP3.46
Rot. Bonds8

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

(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine (PubChem CID 143342015) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine.

Molecular Properties

Compound Name(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
PubChem CID143342015
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
SMILESC=C(CC)CN(C)C(=C\C)/N=C(\CCC)C(=C)N
InChIInChI=1S/C15H27N3/c1-7-10-14(13(5)16)17-15(9-3)18(6)11-12(4)8-2/h9H,4-5,7-8,10-11,16H2,1-3,6H3/b15-9-,17-14+
InChIKeyJQUYUEDXPZQKJI-SFCSOGGGSA-N
XLogP3.46
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-ethyl-1-N'-(5-iminohex-1-en-2-yl)ethene-1,1-diamine
CID 137409834
ethenamine;ethene;(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine
CID 143342014
(E)-1-N-methyl-1-N-(2-methylidenebutyl)-1-(penta-1,4-dien-3-ylideneamino)prop-1-ene-1,2-diamine
CID 143346463

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
The IUPAC name of (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine (CID 143342015) is (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine.
What is the SMILES notation for (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
The canonical SMILES for (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine is C=C(CC)CN(C)C(=C\C)/N=C(\CCC)C(=C)N.
What is the InChIKey of (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
The InChIKey is JQUYUEDXPZQKJI-SFCSOGGGSA-N. The full InChI is InChI=1S/C15H27N3/c1-7-10-14(13(5)16)17-15(9-3)18(6)11-12(4)8-2/h9H,4-5,7-8,10-11,16H2,1-3,6H3/b15-9-,17-14+.
What are the key properties of (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine?
(3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(E)-1-[methyl(2-methylidenebutyl)amino]prop-1-enyl]iminohex-1-en-2-amine is sourced from PubChem (CID 143342015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).