2-N,4-dimethyl-8-methylideneundecane-2,4-diamine

C14H30N2 — CID 18716553

IUPAC2-N,4-dimethyl-8-methylideneundecane-2,4-diamine
SMILESC=C(CCC)CCCC(C)(N)CC(C)NC
InChIInChI=1S/C14H30N2/c1-6-8-12(2)9-7-10-14(4,15)11-13(3)16-5/h13,16H,2,6-11,15H2,1,3-5H3
InChIKeyOSJJAZZXBHWVMF-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.23
Rot. Bonds9

About 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine

2-N,4-dimethyl-8-methylideneundecane-2,4-diamine (PubChem CID 18716553) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine.

Molecular Properties

Compound Name2-N,4-dimethyl-8-methylideneundecane-2,4-diamine
PubChem CID18716553
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N,4-dimethyl-8-methylideneundecane-2,4-diamine
SMILESC=C(CCC)CCCC(C)(N)CC(C)NC
InChIInChI=1S/C14H30N2/c1-6-8-12(2)9-7-10-14(4,15)11-13(3)16-5/h13,16H,2,6-11,15H2,1,3-5H3
InChIKeyOSJJAZZXBHWVMF-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine?
The IUPAC name of 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine (CID 18716553) is 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine.
What is the SMILES notation for 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine?
The canonical SMILES for 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine is C=C(CCC)CCCC(C)(N)CC(C)NC.
What is the InChIKey of 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine?
The InChIKey is OSJJAZZXBHWVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-8-12(2)9-7-10-14(4,15)11-13(3)16-5/h13,16H,2,6-11,15H2,1,3-5H3.
What are the key properties of 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine?
2-N,4-dimethyl-8-methylideneundecane-2,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-dimethyl-8-methylideneundecane-2,4-diamine is sourced from PubChem (CID 18716553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).