N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine

C15H32N2 — CID 134368729

IUPACN-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine
SMILESC=C(CCCCCCNCNC)CCC(C)C
InChIInChI=1S/C15H32N2/c1-14(2)10-11-15(3)9-7-5-6-8-12-17-13-16-4/h14,16-17H,3,5-13H2,1-2,4H3
InChIKeyOAZXWWPHYMRKJD-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.70
Rot. Bonds12

About N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine

N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine (PubChem CID 134368729) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine
PubChem CID134368729
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine
SMILESC=C(CCCCCCNCNC)CCC(C)C
InChIInChI=1S/C15H32N2/c1-14(2)10-11-15(3)9-7-5-6-8-12-17-13-16-4/h14,16-17H,3,5-13H2,1-2,4H3
InChIKeyOAZXWWPHYMRKJD-UHFFFAOYSA-N
XLogP3.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.70
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'-(10-methyl-7-methylideneundecyl)methanediamine?
The IUPAC name of N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine (CID 134368729) is N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine.
What is the SMILES notation for N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine?
The canonical SMILES for N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine is C=C(CCCCCCNCNC)CCC(C)C.
What is the InChIKey of N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine?
The InChIKey is OAZXWWPHYMRKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)10-11-15(3)9-7-5-6-8-12-17-13-16-4/h14,16-17H,3,5-13H2,1-2,4H3.
What are the key properties of N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine?
N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine has a molecular weight of 240.43 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(10-methyl-7-methylideneundecyl)methanediamine is sourced from PubChem (CID 134368729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).