N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine

C13H28N2 — CID 88772969

IUPACN',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine
SMILESC=CCC(CCCCC)NCCN(C)C
InChIInChI=1S/C13H28N2/c1-5-7-8-10-13(9-6-2)14-11-12-15(3)4/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyUAGKYNUAAGRFLI-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds10

About N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine

N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine (PubChem CID 88772969) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine
PubChem CID88772969
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine
SMILESC=CCC(CCCCC)NCCN(C)C
InChIInChI=1S/C13H28N2/c1-5-7-8-10-13(9-6-2)14-11-12-15(3)4/h6,13-14H,2,5,7-12H2,1,3-4H3
InChIKeyUAGKYNUAAGRFLI-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine (CID 88772969) is N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine is C=CCC(CCCCC)NCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine?
The InChIKey is UAGKYNUAAGRFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-7-8-10-13(9-6-2)14-11-12-15(3)4/h6,13-14H,2,5,7-12H2,1,3-4H3.
What are the key properties of N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine?
N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-non-1-en-4-ylethane-1,2-diamine is sourced from PubChem (CID 88772969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).