N-methyl-N'-(2-methylhex-4-enyl)methanediamine

C9H20N2 — CID 123657168

IUPACN-methyl-N'-(2-methylhex-4-enyl)methanediamine
SMILESCC=CCC(C)CNCNC
InChIInChI=1S/C9H20N2/c1-4-5-6-9(2)7-11-8-10-3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyWFSIAFAWUNEQEM-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.36
Rot. Bonds6

About N-methyl-N'-(2-methylhex-4-enyl)methanediamine

N-methyl-N'-(2-methylhex-4-enyl)methanediamine (PubChem CID 123657168) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-methyl-N'-(2-methylhex-4-enyl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(2-methylhex-4-enyl)methanediamine
PubChem CID123657168
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-methyl-N'-(2-methylhex-4-enyl)methanediamine
SMILESCC=CCC(C)CNCNC
InChIInChI=1S/C9H20N2/c1-4-5-6-9(2)7-11-8-10-3/h4-5,9-11H,6-8H2,1-3H3
InChIKeyWFSIAFAWUNEQEM-UHFFFAOYSA-N
XLogP1.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-methyl-N'-(2-methylhex-4-enyl)methanediamine?
The IUPAC name of N-methyl-N'-(2-methylhex-4-enyl)methanediamine (CID 123657168) is N-methyl-N'-(2-methylhex-4-enyl)methanediamine.
What is the SMILES notation for N-methyl-N'-(2-methylhex-4-enyl)methanediamine?
The canonical SMILES for N-methyl-N'-(2-methylhex-4-enyl)methanediamine is CC=CCC(C)CNCNC.
What is the InChIKey of N-methyl-N'-(2-methylhex-4-enyl)methanediamine?
The InChIKey is WFSIAFAWUNEQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-5-6-9(2)7-11-8-10-3/h4-5,9-11H,6-8H2,1-3H3.
What are the key properties of N-methyl-N'-(2-methylhex-4-enyl)methanediamine?
N-methyl-N'-(2-methylhex-4-enyl)methanediamine has a molecular weight of 156.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-methylhex-4-enyl)methanediamine is sourced from PubChem (CID 123657168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).