N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine

C21H39NO — CID 19864357

IUPACN-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine
SMILESCC(C)(C)C1CCC(C2COC(CNC3CCCCC3)C2)CC1
InChIInChI=1S/C21H39NO/c1-21(2,3)18-11-9-16(10-12-18)17-13-20(23-15-17)14-22-19-7-5-4-6-8-19/h16-20,22H,4-15H2,1-3H3
InChIKeySFZBZGJZFFPWIX-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.17
Rot. Bonds4

About N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine

N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine (PubChem CID 19864357) has the molecular formula C21H39NO and a molecular weight of 321.55 g/mol. Its IUPAC name is N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine
PubChem CID19864357
Molecular FormulaC21H39NO
Molecular Weight321.55 g/mol
Exact Mass321.30
IUPAC NameN-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine
SMILESCC(C)(C)C1CCC(C2COC(CNC3CCCCC3)C2)CC1
InChIInChI=1S/C21H39NO/c1-21(2,3)18-11-9-16(10-12-18)17-13-20(23-15-17)14-22-19-7-5-4-6-8-19/h16-20,22H,4-15H2,1-3H3
InChIKeySFZBZGJZFFPWIX-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine (CID 19864357) is N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine is CC(C)(C)C1CCC(C2COC(CNC3CCCCC3)C2)CC1.
What is the InChIKey of N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine?
The InChIKey is SFZBZGJZFFPWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO/c1-21(2,3)18-11-9-16(10-12-18)17-13-20(23-15-17)14-22-19-7-5-4-6-8-19/h16-20,22H,4-15H2,1-3H3.
What are the key properties of N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine?
N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine has a molecular weight of 321.55 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 19864357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).