N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine

C14H27N — CID 104929644

IUPACN-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
SMILESC=C(C)CCC(C)=CCCNC(C)(C)C
InChIInChI=1S/C14H27N/c1-12(2)9-10-13(3)8-7-11-15-14(4,5)6/h8,15H,1,7,9-11H2,2-6H3
InChIKeyMFUYIZLCOSNCSS-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.07
Rot. Bonds6

About N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine

N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine (PubChem CID 104929644) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
PubChem CID104929644
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine
SMILESC=C(C)CCC(C)=CCCNC(C)(C)C
InChIInChI=1S/C14H27N/c1-12(2)9-10-13(3)8-7-11-15-14(4,5)6/h8,15H,1,7,9-11H2,2-6H3
InChIKeyMFUYIZLCOSNCSS-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine?
The IUPAC name of N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine (CID 104929644) is N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine.
What is the SMILES notation for N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine?
The canonical SMILES for N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine is C=C(C)CCC(C)=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine?
The InChIKey is MFUYIZLCOSNCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)9-10-13(3)8-7-11-15-14(4,5)6/h8,15H,1,7,9-11H2,2-6H3.
What are the key properties of N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine?
N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine has a molecular weight of 209.38 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,7-dimethylocta-3,7-dien-1-amine is sourced from PubChem (CID 104929644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).