N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine

C14H28N2 — CID 143071611

IUPACN'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine
SMILESC=CC(=C)N(CC)CCNCCCCCC
InChIInChI=1S/C14H28N2/c1-5-8-9-10-11-15-12-13-16(7-3)14(4)6-2/h6,15H,2,4-5,7-13H2,1,3H3
InChIKeyWJUBDNSCJABWFF-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.18
Rot. Bonds11

About N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine

N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine (PubChem CID 143071611) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine.

Molecular Properties

Compound NameN'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine
PubChem CID143071611
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine
SMILESC=CC(=C)N(CC)CCNCCCCCC
InChIInChI=1S/C14H28N2/c1-5-8-9-10-11-15-12-13-16(7-3)14(4)6-2/h6,15H,2,4-5,7-13H2,1,3H3
InChIKeyWJUBDNSCJABWFF-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-prop-2-enyltridecan-1-amine
CID 22467882
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N-(3-methylbut-3-enyl)hexan-1-amine
CID 114472319
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N',N'-dimethyl-N-tetradecylpropane-1,3-diamine
CID 15792997
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-dodecyl-N',N'-dimethylpropane-1,3-diamine
CID 55195797

Frequently Asked Questions

What is the IUPAC name of N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine?
The IUPAC name of N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine (CID 143071611) is N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine.
What is the SMILES notation for N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine?
The canonical SMILES for N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine is C=CC(=C)N(CC)CCNCCCCCC.
What is the InChIKey of N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine?
The InChIKey is WJUBDNSCJABWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-5-8-9-10-11-15-12-13-16(7-3)14(4)6-2/h6,15H,2,4-5,7-13H2,1,3H3.
What are the key properties of N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine?
N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.18, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-buta-1,3-dien-2-yl-N'-ethyl-N-hexylethane-1,2-diamine is sourced from PubChem (CID 143071611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).