N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine

C16H31NO — CID 170279507

IUPACN-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine
SMILESCN(C1CCOCC1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-16(2,3)13-5-7-14(8-6-13)17(4)15-9-11-18-12-10-15/h13-15H,5-12H2,1-4H3
InChIKeyVTEHZDOQWMPOQI-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.70
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine

N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine (PubChem CID 170279507) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine
PubChem CID170279507
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine
SMILESCN(C1CCOCC1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H31NO/c1-16(2,3)13-5-7-14(8-6-13)17(4)15-9-11-18-12-10-15/h13-15H,5-12H2,1-4H3
InChIKeyVTEHZDOQWMPOQI-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine?
The IUPAC name of N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine (CID 170279507) is N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine is CN(C1CCOCC1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine?
The InChIKey is VTEHZDOQWMPOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-16(2,3)13-5-7-14(8-6-13)17(4)15-9-11-18-12-10-15/h13-15H,5-12H2,1-4H3.
What are the key properties of N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine?
N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine has a molecular weight of 253.43 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-N-methyloxan-4-amine is sourced from PubChem (CID 170279507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).