4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine

C14H27N — CID 58661856

IUPAC4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(NC)CCC1C(C)(C)C
InChIInChI=1S/C14H27N/c1-6-7-11-10-12(15-5)8-9-13(11)14(2,3)4/h6,11-13,15H,1,7-10H2,2-5H3
InChIKeyTUGLUHPGCYGXNN-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.61
Rot. Bonds3

About 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine

4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine (PubChem CID 58661856) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine
PubChem CID58661856
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(NC)CCC1C(C)(C)C
InChIInChI=1S/C14H27N/c1-6-7-11-10-12(15-5)8-9-13(11)14(2,3)4/h6,11-13,15H,1,7-10H2,2-5H3
InChIKeyTUGLUHPGCYGXNN-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.61
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 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine (CID 58661856) is 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine is C=CCC1CC(NC)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
The InChIKey is TUGLUHPGCYGXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-7-11-10-12(15-5)8-9-13(11)14(2,3)4/h6,11-13,15H,1,7-10H2,2-5H3.
What are the key properties of 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine?
4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 58661856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).