N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine

C16H32N2 — CID 88826631

IUPACN-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
SMILESCCC=CNCCNC=CCCCCCCCC
InChIInChI=1S/C16H32N2/c1-3-5-7-8-9-10-11-12-14-18-16-15-17-13-6-4-2/h6,12-14,17-18H,3-5,7-11,15-16H2,1-2H3
InChIKeyAHRQHOOAUGNDNG-UHFFFAOYSA-N
MW252.45 g/mol
LogP4.35
Rot. Bonds13

About N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine

N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine (PubChem CID 88826631) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine.

Molecular Properties

Compound NameN-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
PubChem CID88826631
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-but-1-enyl-N'-dec-1-enylethane-1,2-diamine
SMILESCCC=CNCCNC=CCCCCCCCC
InChIInChI=1S/C16H32N2/c1-3-5-7-8-9-10-11-12-14-18-16-15-17-13-6-4-2/h6,12-14,17-18H,3-5,7-11,15-16H2,1-2H3
InChIKeyAHRQHOOAUGNDNG-UHFFFAOYSA-N
XLogP4.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-[2-[2-(dodec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695762
N'-[2-[2-[2-(tetradec-1-enylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 139695795
N'-[(E)-tricos-1-enyl]ethane-1,2-diamine
CID 22930928
N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
N'-oct-1-enylhexane-1,6-diamine
CID 139771497
(Z)-N-butylhex-1-en-1-amine
CID 146262840
3-[[(E)-hept-1-enyl]amino]propanenitrile
CID 101282817
N'-[3-(octadec-1-enylamino)propyl]propane-1,3-diamine
CID 173430140
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
(Z)-tridec-3-ene
CID 5362711
(E)-nonacos-3-ene
CID 22172230
octacos-3-ene
CID 54171253

Frequently Asked Questions

What is the IUPAC name of N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine?
The IUPAC name of N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine (CID 88826631) is N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine.
What is the SMILES notation for N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine?
The canonical SMILES for N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine is CCC=CNCCNC=CCCCCCCCC.
What is the InChIKey of N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine?
The InChIKey is AHRQHOOAUGNDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-5-7-8-9-10-11-12-14-18-16-15-17-13-6-4-2/h6,12-14,17-18H,3-5,7-11,15-16H2,1-2H3.
What are the key properties of N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine?
N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 4.35, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enyl-N'-dec-1-enylethane-1,2-diamine is sourced from PubChem (CID 88826631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).