2,5-bis(prop-2-enyl)hexanediamide

C12H20N2O2 — CID 121007809

IUPAC2,5-bis(prop-2-enyl)hexanediamide
SMILESC=CCC(CCC(CC=C)C(N)=O)C(N)=O
InChIInChI=1S/C12H20N2O2/c1-3-5-9(11(13)15)7-8-10(6-4-2)12(14)16/h3-4,9-10H,1-2,5-8H2,(H2,13,15)(H2,14,16)
InChIKeyCSJDHRKTODNATD-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.12
Rot. Bonds9

About 2,5-bis(prop-2-enyl)hexanediamide

2,5-bis(prop-2-enyl)hexanediamide (PubChem CID 121007809) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,5-bis(prop-2-enyl)hexanediamide.

Molecular Properties

Compound Name2,5-bis(prop-2-enyl)hexanediamide
PubChem CID121007809
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,5-bis(prop-2-enyl)hexanediamide
SMILESC=CCC(CCC(CC=C)C(N)=O)C(N)=O
InChIInChI=1S/C12H20N2O2/c1-3-5-9(11(13)15)7-8-10(6-4-2)12(14)16/h3-4,9-10H,1-2,5-8H2,(H2,13,15)(H2,14,16)
InChIKeyCSJDHRKTODNATD-UHFFFAOYSA-N
XLogP1.12
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynylpent-4-enamide
CID 173278593
2-prop-2-enylpent-4-enethioic S-acid
CID 88624358
2-prop-2-enylbutanedioate
CID 18008387
(2S)-2-[(4-propan-2-ylphenyl)methyl]pent-4-enamide
CID 125467117
fluoro 2-(fluoromethyl)pent-4-enoate
CID 174381928
3-propylhex-5-en-2-one
CID 87772070
pent-4-en-2-ol;urea
CID 88650571
3-ethylhex-5-en-2-one
CID 58995117
(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enamide
CID 125467212
2-(ethylamino)pent-4-enamide
CID 129260438
2-(2-sulfanylethyl)undec-10-enamide
CID 123962158
2-prop-2-enyldodec-11-enoic acid
CID 88827199

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(prop-2-enyl)hexanediamide?
The IUPAC name of 2,5-bis(prop-2-enyl)hexanediamide (CID 121007809) is 2,5-bis(prop-2-enyl)hexanediamide.
What is the SMILES notation for 2,5-bis(prop-2-enyl)hexanediamide?
The canonical SMILES for 2,5-bis(prop-2-enyl)hexanediamide is C=CCC(CCC(CC=C)C(N)=O)C(N)=O.
What is the InChIKey of 2,5-bis(prop-2-enyl)hexanediamide?
The InChIKey is CSJDHRKTODNATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-9(11(13)15)7-8-10(6-4-2)12(14)16/h3-4,9-10H,1-2,5-8H2,(H2,13,15)(H2,14,16).
What are the key properties of 2,5-bis(prop-2-enyl)hexanediamide?
2,5-bis(prop-2-enyl)hexanediamide has a molecular weight of 224.30 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(prop-2-enyl)hexanediamide is sourced from PubChem (CID 121007809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).