N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine

C10H20N2 — CID 89233222

IUPACN-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine
SMILESC=CC(=C)NCCN(CC)CC
InChIInChI=1S/C10H20N2/c1-5-10(4)11-8-9-12(6-2)7-3/h5,11H,1,4,6-9H2,2-3H3
InChIKeyCXRITYZUNWQTEC-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.62
Rot. Bonds7

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

N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine (PubChem CID 89233222) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine
PubChem CID89233222
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine
SMILESC=CC(=C)NCCN(CC)CC
InChIInChI=1S/C10H20N2/c1-5-10(4)11-8-9-12(6-2)7-3/h5,11H,1,4,6-9H2,2-3H3
InChIKeyCXRITYZUNWQTEC-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine (CID 89233222) is N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine is C=CC(=C)NCCN(CC)CC.
What is the InChIKey of N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine?
The InChIKey is CXRITYZUNWQTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-10(4)11-8-9-12(6-2)7-3/h5,11H,1,4,6-9H2,2-3H3.
What are the key properties of N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine?
N-buta-1,3-dien-2-yl-N',N'-diethylethane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.62, 7 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',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 89233222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).