1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine

C10H23N3 — CID 139506663

IUPAC1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine
SMILESC=CC(CNC)N(C)CNCCC
InChIInChI=1S/C10H23N3/c1-5-7-12-9-13(4)10(6-2)8-11-3/h6,10-12H,2,5,7-9H2,1,3-4H3
InChIKeyQMJBPPAXIRQRNH-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.65
Rot. Bonds8

About 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine

1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine (PubChem CID 139506663) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine
PubChem CID139506663
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine
SMILESC=CC(CNC)N(C)CNCCC
InChIInChI=1S/C10H23N3/c1-5-7-12-9-13(4)10(6-2)8-11-3/h6,10-12H,2,5,7-9H2,1,3-4H3
InChIKeyQMJBPPAXIRQRNH-UHFFFAOYSA-N
XLogP0.65
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine (CID 139506663) is 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine is C=CC(CNC)N(C)CNCCC.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine?
The InChIKey is QMJBPPAXIRQRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-7-12-9-13(4)10(6-2)8-11-3/h6,10-12H,2,5,7-9H2,1,3-4H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine?
1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine has a molecular weight of 185.31 g/mol, XLogP of 0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(propylaminomethyl)but-3-ene-1,2-diamine is sourced from PubChem (CID 139506663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).