4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine

C16H33N — CID 63401228

IUPAC4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
SMILESCCCCCC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C16H33N/c1-6-7-8-9-13-12-14(16(2,3)4)10-11-15(13)17-5/h13-15,17H,6-12H2,1-5H3
InChIKeyYOEYHHBPNOUCCV-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds5

About 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine

4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine (PubChem CID 63401228) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
PubChem CID63401228
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine
SMILESCCCCCC1CC(C(C)(C)C)CCC1NC
InChIInChI=1S/C16H33N/c1-6-7-8-9-13-12-14(16(2,3)4)10-11-15(13)17-5/h13-15,17H,6-12H2,1-5H3
InChIKeyYOEYHHBPNOUCCV-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine (CID 63401228) is 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine is CCCCCC1CC(C(C)(C)C)CCC1NC.
What is the InChIKey of 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine?
The InChIKey is YOEYHHBPNOUCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-7-8-9-13-12-14(16(2,3)4)10-11-15(13)17-5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine?
4-tert-butyl-N-methyl-2-pentylcyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 5 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-2-pentylcyclohexan-1-amine is sourced from PubChem (CID 63401228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).