1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine

C9H20N2 — CID 155106551

IUPAC1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine
SMILESCC/C=C(\CC)N(C)C(C)N
InChIInChI=1S/C9H20N2/c1-5-7-9(6-2)11(4)8(3)10/h7-8H,5-6,10H2,1-4H3/b9-7+
InChIKeyMEKOIJYZVDLYNP-VQHVLOKHSA-N
MW156.27 g/mol
LogP1.93
Rot. Bonds4

About 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine

1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine (PubChem CID 155106551) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine
PubChem CID155106551
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine
SMILESCC/C=C(\CC)N(C)C(C)N
InChIInChI=1S/C9H20N2/c1-5-7-9(6-2)11(4)8(3)10/h7-8H,5-6,10H2,1-4H3/b9-7+
InChIKeyMEKOIJYZVDLYNP-VQHVLOKHSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine?
The IUPAC name of 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine (CID 155106551) is 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine.
What is the SMILES notation for 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine?
The canonical SMILES for 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine is CC/C=C(\CC)N(C)C(C)N.
What is the InChIKey of 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine?
The InChIKey is MEKOIJYZVDLYNP-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-7-9(6-2)11(4)8(3)10/h7-8H,5-6,10H2,1-4H3/b9-7+.
What are the key properties of 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine?
1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(E)-hex-3-en-3-yl]-1-N'-methylethane-1,1-diamine is sourced from PubChem (CID 155106551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).