N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine

C16H33N — CID 82933365

IUPACN-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine
SMILESCCC(C)(CNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H33N/c1-6-16(5,13-17-15(2,3)4)14-11-9-7-8-10-12-14/h14,17H,6-13H2,1-5H3
InChIKeyZNGYWLCEUDHJGB-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds4

About N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine

N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine (PubChem CID 82933365) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine
PubChem CID82933365
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine
SMILESCCC(C)(CNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H33N/c1-6-16(5,13-17-15(2,3)4)14-11-9-7-8-10-12-14/h14,17H,6-13H2,1-5H3
InChIKeyZNGYWLCEUDHJGB-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine (CID 82933365) is N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine is CCC(C)(CNC(C)(C)C)C1CCCCCC1.
What is the InChIKey of N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine?
The InChIKey is ZNGYWLCEUDHJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-16(5,13-17-15(2,3)4)14-11-9-7-8-10-12-14/h14,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine?
N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine is sourced from PubChem (CID 82933365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).