3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine

C14H29N — CID 10081888

IUPAC3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESC=CC(CCC)C(C)(C)CNCC(C)C
InChIInChI=1S/C14H29N/c1-7-9-13(8-2)14(5,6)11-15-10-12(3)4/h8,12-13,15H,2,7,9-11H2,1,3-6H3
InChIKeyRETISLBARUUDDV-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.86
Rot. Bonds8

About 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine

3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 10081888) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID10081888
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine
SMILESC=CC(CCC)C(C)(C)CNCC(C)C
InChIInChI=1S/C14H29N/c1-7-9-13(8-2)14(5,6)11-15-10-12(3)4/h8,12-13,15H,2,7,9-11H2,1,3-6H3
InChIKeyRETISLBARUUDDV-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine (CID 10081888) is 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine is C=CC(CCC)C(C)(C)CNCC(C)C.
What is the InChIKey of 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is RETISLBARUUDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-9-13(8-2)14(5,6)11-15-10-12(3)4/h8,12-13,15H,2,7,9-11H2,1,3-6H3.
What are the key properties of 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine?
3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,2-dimethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 10081888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).