N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine

C19H39N3 — CID 6476688

IUPACN'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine
SMILESCCCCCC/C=C\CNCCCCNC/C=C\CNCC
InChIInChI=1S/C19H39N3/c1-3-5-6-7-8-9-10-16-21-18-13-14-19-22-17-12-11-15-20-4-2/h9-12,20-22H,3-8,13-19H2,1-2H3/b10-9-,12-11-
InChIKeyZXLMWQFFCLWPKU-BASFJDSNSA-N
MW309.54 g/mol
LogP3.64
Rot. Bonds17

About N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine

N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine (PubChem CID 6476688) has the molecular formula C19H39N3 and a molecular weight of 309.54 g/mol. Its IUPAC name is N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine
PubChem CID6476688
Molecular FormulaC19H39N3
Molecular Weight309.54 g/mol
Exact Mass309.31
IUPAC NameN'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine
SMILESCCCCCC/C=C\CNCCCCNC/C=C\CNCC
InChIInChI=1S/C19H39N3/c1-3-5-6-7-8-9-10-16-21-18-13-14-19-22-17-12-11-15-20-4-2/h9-12,20-22H,3-8,13-19H2,1-2H3/b10-9-,12-11-
InChIKeyZXLMWQFFCLWPKU-BASFJDSNSA-N
XLogP3.64
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine?
The IUPAC name of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine (CID 6476688) is N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine?
The canonical SMILES for N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine is CCCCCC/C=C\CNCCCCNC/C=C\CNCC.
What is the InChIKey of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine?
The InChIKey is ZXLMWQFFCLWPKU-BASFJDSNSA-N. The full InChI is InChI=1S/C19H39N3/c1-3-5-6-7-8-9-10-16-21-18-13-14-19-22-17-12-11-15-20-4-2/h9-12,20-22H,3-8,13-19H2,1-2H3/b10-9-,12-11-.
What are the key properties of N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine?
N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine has a molecular weight of 309.54 g/mol, XLogP of 3.64, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-4-(ethylamino)but-2-enyl]-N-[(Z)-non-2-enyl]butane-1,4-diamine is sourced from PubChem (CID 6476688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).