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

C16H35ClN4 — CID 45263466

IUPACN,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride
SMILESCCNC/C=C\CNCCCCNC/C=C\CNCC.Cl
InChIInChI=1S/C16H34N4.ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;/h5-8,17-20H,3-4,9-16H2,1-2H3;1H/b7-5-,8-6-;
InChIKeyGHTCFCWCZVZJRI-OVDGFJEXSA-N
MW318.94 g/mol
LogP1.70
Rot. Bonds15

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

N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride (PubChem CID 45263466) has the molecular formula C16H35ClN4 and a molecular weight of 318.94 g/mol. Its IUPAC name is N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride.

Molecular Properties

Compound NameN,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride
PubChem CID45263466
Molecular FormulaC16H35ClN4
Molecular Weight318.94 g/mol
Exact Mass318.26
IUPAC NameN,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride
SMILESCCNC/C=C\CNCCCCNC/C=C\CNCC.Cl
InChIInChI=1S/C16H34N4.ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;/h5-8,17-20H,3-4,9-16H2,1-2H3;1H/b7-5-,8-6-;
InChIKeyGHTCFCWCZVZJRI-OVDGFJEXSA-N
XLogP1.70
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.94
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride?
The IUPAC name of N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride (CID 45263466) is N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride.
What is the SMILES notation for N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride?
The canonical SMILES for N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride is CCNC/C=C\CNCCCCNC/C=C\CNCC.Cl.
What is the InChIKey of N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride?
The InChIKey is GHTCFCWCZVZJRI-OVDGFJEXSA-N. The full InChI is InChI=1S/C16H34N4.ClH/c1-3-17-11-5-7-13-19-15-9-10-16-20-14-8-6-12-18-4-2;/h5-8,17-20H,3-4,9-16H2,1-2H3;1H/b7-5-,8-6-;.
What are the key properties of N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride?
N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride has a molecular weight of 318.94 g/mol, XLogP of 1.70, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-4-(ethylamino)but-2-enyl]butane-1,4-diamine;hydrochloride is sourced from PubChem (CID 45263466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).