1-N'-pent-1-en-3-ylethane-1,1-diamine

C7H16N2 — CID 89066679

IUPAC1-N'-pent-1-en-3-ylethane-1,1-diamine
SMILESC=CC(CC)NC(C)N
InChIInChI=1S/C7H16N2/c1-4-7(5-2)9-6(3)8/h4,6-7,9H,1,5,8H2,2-3H3
InChIKeyZCKRWDGSHHDWPB-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.85
Rot. Bonds4

About 1-N'-pent-1-en-3-ylethane-1,1-diamine

1-N'-pent-1-en-3-ylethane-1,1-diamine (PubChem CID 89066679) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-N'-pent-1-en-3-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-pent-1-en-3-ylethane-1,1-diamine
PubChem CID89066679
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-N'-pent-1-en-3-ylethane-1,1-diamine
SMILESC=CC(CC)NC(C)N
InChIInChI=1S/C7H16N2/c1-4-7(5-2)9-6(3)8/h4,6-7,9H,1,5,8H2,2-3H3
InChIKeyZCKRWDGSHHDWPB-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N'-pent-1-en-3-ylethane-1,1-diamine?
The IUPAC name of 1-N'-pent-1-en-3-ylethane-1,1-diamine (CID 89066679) is 1-N'-pent-1-en-3-ylethane-1,1-diamine.
What is the SMILES notation for 1-N'-pent-1-en-3-ylethane-1,1-diamine?
The canonical SMILES for 1-N'-pent-1-en-3-ylethane-1,1-diamine is C=CC(CC)NC(C)N.
What is the InChIKey of 1-N'-pent-1-en-3-ylethane-1,1-diamine?
The InChIKey is ZCKRWDGSHHDWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-7(5-2)9-6(3)8/h4,6-7,9H,1,5,8H2,2-3H3.
What are the key properties of 1-N'-pent-1-en-3-ylethane-1,1-diamine?
1-N'-pent-1-en-3-ylethane-1,1-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-pent-1-en-3-ylethane-1,1-diamine is sourced from PubChem (CID 89066679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).