N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine

C14H27N — CID 129152434

IUPACN,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine
SMILESC=C(C(C)C)C(C)C(NC)C(=C)C(C)C
InChIInChI=1S/C14H27N/c1-9(2)11(5)13(7)14(15-8)12(6)10(3)4/h9-10,13-15H,5-6H2,1-4,7-8H3
InChIKeyPXQWBAMSBHGMML-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.63
Rot. Bonds6

About N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine

N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine (PubChem CID 129152434) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine.

Molecular Properties

Compound NameN,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine
PubChem CID129152434
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine
SMILESC=C(C(C)C)C(C)C(NC)C(=C)C(C)C
InChIInChI=1S/C14H27N/c1-9(2)11(5)13(7)14(15-8)12(6)10(3)4/h9-10,13-15H,5-6H2,1-4,7-8H3
InChIKeyPXQWBAMSBHGMML-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine?
The IUPAC name of N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine (CID 129152434) is N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine.
What is the SMILES notation for N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine?
The canonical SMILES for N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine is C=C(C(C)C)C(C)C(NC)C(=C)C(C)C.
What is the InChIKey of N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine?
The InChIKey is PXQWBAMSBHGMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-9(2)11(5)13(7)14(15-8)12(6)10(3)4/h9-10,13-15H,5-6H2,1-4,7-8H3.
What are the key properties of N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine?
N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine has a molecular weight of 209.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5,7-tetramethyl-3,6-dimethylideneoctan-4-amine is sourced from PubChem (CID 129152434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).