N'-but-3-en-2-ylethane-1,2-diamine

C6H14N2 — CID 19417869

IUPACN'-but-3-en-2-ylethane-1,2-diamine
SMILESC=CC(C)NCCN
InChIInChI=1S/C6H14N2/c1-3-6(2)8-5-4-7/h3,6,8H,1,4-5,7H2,2H3
InChIKeyDOMDYHNTKKWMTI-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.11
Rot. Bonds4

About N'-but-3-en-2-ylethane-1,2-diamine

N'-but-3-en-2-ylethane-1,2-diamine (PubChem CID 19417869) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-but-3-en-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-but-3-en-2-ylethane-1,2-diamine
PubChem CID19417869
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-but-3-en-2-ylethane-1,2-diamine
SMILESC=CC(C)NCCN
InChIInChI=1S/C6H14N2/c1-3-6(2)8-5-4-7/h3,6,8H,1,4-5,7H2,2H3
InChIKeyDOMDYHNTKKWMTI-UHFFFAOYSA-N
XLogP0.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-but-3-en-2-ylethane-1,2-diamine?
The IUPAC name of N'-but-3-en-2-ylethane-1,2-diamine (CID 19417869) is N'-but-3-en-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-but-3-en-2-ylethane-1,2-diamine?
The canonical SMILES for N'-but-3-en-2-ylethane-1,2-diamine is C=CC(C)NCCN.
What is the InChIKey of N'-but-3-en-2-ylethane-1,2-diamine?
The InChIKey is DOMDYHNTKKWMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-6(2)8-5-4-7/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of N'-but-3-en-2-ylethane-1,2-diamine?
N'-but-3-en-2-ylethane-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-en-2-ylethane-1,2-diamine is sourced from PubChem (CID 19417869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).