N'-prop-1-en-2-ylpropane-1,3-diamine

C6H14N2 — CID 58325463

IUPACN'-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCCCN
InChIInChI=1S/C6H14N2/c1-6(2)8-5-3-4-7/h8H,1,3-5,7H2,2H3
InChIKeyPPPSYLMYZCTSOH-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.46
Rot. Bonds4

About N'-prop-1-en-2-ylpropane-1,3-diamine

N'-prop-1-en-2-ylpropane-1,3-diamine (PubChem CID 58325463) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-prop-1-en-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-prop-1-en-2-ylpropane-1,3-diamine
PubChem CID58325463
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-prop-1-en-2-ylpropane-1,3-diamine
SMILESC=C(C)NCCCN
InChIInChI=1S/C6H14N2/c1-6(2)8-5-3-4-7/h8H,1,3-5,7H2,2H3
InChIKeyPPPSYLMYZCTSOH-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-prop-1-en-2-ylpropane-1,3-diamine?
The IUPAC name of N'-prop-1-en-2-ylpropane-1,3-diamine (CID 58325463) is N'-prop-1-en-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-prop-1-en-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-prop-1-en-2-ylpropane-1,3-diamine is C=C(C)NCCCN.
What is the InChIKey of N'-prop-1-en-2-ylpropane-1,3-diamine?
The InChIKey is PPPSYLMYZCTSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c1-6(2)8-5-3-4-7/h8H,1,3-5,7H2,2H3.
What are the key properties of N'-prop-1-en-2-ylpropane-1,3-diamine?
N'-prop-1-en-2-ylpropane-1,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-1-en-2-ylpropane-1,3-diamine is sourced from PubChem (CID 58325463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).