N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine

C15H24N2 — CID 131135869

IUPACN'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
SMILESCC(C)=CCNCCN(C)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-14(2)9-10-16-11-12-17(3)13-15-7-5-4-6-8-15/h4-9,16H,10-13H2,1-3H3
InChIKeyYTHSWZCSMLIZEO-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.67
Rot. Bonds7

About N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine

N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine (PubChem CID 131135869) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
PubChem CID131135869
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine
SMILESCC(C)=CCNCCN(C)Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-14(2)9-10-16-11-12-17(3)13-15-7-5-4-6-8-15/h4-9,16H,10-13H2,1-3H3
InChIKeyYTHSWZCSMLIZEO-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.67
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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Related Compounds

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CID 3014024
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Plerixafor
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N-Methylbenzylamine
CID 7669
Benzyldimethylstearylammonium chloride
CID 31204
Benzyltrimethylammonium chloride
CID 5963
Benzyldimethyltetradecylammonium chloride
CID 8755
N-Methylbenzeneethanamine
CID 11503
N,N-Dimethylbenzylamine
CID 7681
Benzyltrimethylammonium hydroxide
CID 66854

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine (CID 131135869) is N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine is CC(C)=CCNCCN(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
The InChIKey is YTHSWZCSMLIZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2)9-10-16-11-12-17(3)13-15-7-5-4-6-8-15/h4-9,16H,10-13H2,1-3H3.
What are the key properties of N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine?
N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-methyl-N-(3-methylbut-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 131135869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).