2-propa-1,2-dienylbutane-1,4-diamine

C7H14N2 — CID 174506630

IUPAC2-propa-1,2-dienylbutane-1,4-diamine
SMILESC=C=CC(CN)CCN
InChIInChI=1S/C7H14N2/c1-2-3-7(6-9)4-5-8/h3,7H,1,4-6,8-9H2
InChIKeyGBBHVMVRJQZOLF-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.25
Rot. Bonds4

About 2-propa-1,2-dienylbutane-1,4-diamine

2-propa-1,2-dienylbutane-1,4-diamine (PubChem CID 174506630) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2-propa-1,2-dienylbutane-1,4-diamine.

Molecular Properties

Compound Name2-propa-1,2-dienylbutane-1,4-diamine
PubChem CID174506630
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2-propa-1,2-dienylbutane-1,4-diamine
SMILESC=C=CC(CN)CCN
InChIInChI=1S/C7H14N2/c1-2-3-7(6-9)4-5-8/h3,7H,1,4-6,8-9H2
InChIKeyGBBHVMVRJQZOLF-UHFFFAOYSA-N
XLogP0.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propa-1,2-dienylbutane-1,4-diamine?
The IUPAC name of 2-propa-1,2-dienylbutane-1,4-diamine (CID 174506630) is 2-propa-1,2-dienylbutane-1,4-diamine.
What is the SMILES notation for 2-propa-1,2-dienylbutane-1,4-diamine?
The canonical SMILES for 2-propa-1,2-dienylbutane-1,4-diamine is C=C=CC(CN)CCN.
What is the InChIKey of 2-propa-1,2-dienylbutane-1,4-diamine?
The InChIKey is GBBHVMVRJQZOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-3-7(6-9)4-5-8/h3,7H,1,4-6,8-9H2.
What are the key properties of 2-propa-1,2-dienylbutane-1,4-diamine?
2-propa-1,2-dienylbutane-1,4-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propa-1,2-dienylbutane-1,4-diamine is sourced from PubChem (CID 174506630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).