(E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine

C14H29N — CID 10013384

IUPAC(E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine
SMILESCCC/C=C/CC(C)(C)CNCC(C)C
InChIInChI=1S/C14H29N/c1-6-7-8-9-10-14(4,5)12-15-11-13(2)3/h8-9,13,15H,6-7,10-12H2,1-5H3/b9-8+
InChIKeyPTWZTBWDIVSIBO-CMDGGOBGSA-N
MW211.39 g/mol
LogP4.00
Rot. Bonds8

About (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine

(E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine (PubChem CID 10013384) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine.

Molecular Properties

Compound Name(E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine
PubChem CID10013384
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name(E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine
SMILESCCC/C=C/CC(C)(C)CNCC(C)C
InChIInChI=1S/C14H29N/c1-6-7-8-9-10-14(4,5)12-15-11-13(2)3/h8-9,13,15H,6-7,10-12H2,1-5H3/b9-8+
InChIKeyPTWZTBWDIVSIBO-CMDGGOBGSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.00
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 (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine?
The IUPAC name of (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine (CID 10013384) is (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine.
What is the SMILES notation for (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine?
The canonical SMILES for (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine is CCC/C=C/CC(C)(C)CNCC(C)C.
What is the InChIKey of (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine?
The InChIKey is PTWZTBWDIVSIBO-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H29N/c1-6-7-8-9-10-14(4,5)12-15-11-13(2)3/h8-9,13,15H,6-7,10-12H2,1-5H3/b9-8+.
What are the key properties of (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine?
(E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-N-(2-methylpropyl)oct-4-en-1-amine is sourced from PubChem (CID 10013384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).