N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine

C19H38F2N2O — CID 158930420

IUPACN-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine
SMILESCC(C)(C)NC1CCC(F)(F)CC1.CC(C)(C)NC1CCOCC1
InChIInChI=1S/C10H19F2N.C9H19NO/c1-9(2,3)13-8-4-6-10(11,12)7-5-8;1-9(2,3)10-8-4-6-11-7-5-8/h8,13H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3
InChIKeyJIZDNFJLBITXDC-UHFFFAOYSA-N
MW348.52 g/mol
LogP4.51
Rot. Bonds2

About N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine

N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine (PubChem CID 158930420) has the molecular formula C19H38F2N2O and a molecular weight of 348.52 g/mol. Its IUPAC name is N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine
PubChem CID158930420
Molecular FormulaC19H38F2N2O
Molecular Weight348.52 g/mol
Exact Mass348.30
IUPAC NameN-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine
SMILESCC(C)(C)NC1CCC(F)(F)CC1.CC(C)(C)NC1CCOCC1
InChIInChI=1S/C10H19F2N.C9H19NO/c1-9(2,3)13-8-4-6-10(11,12)7-5-8;1-9(2,3)10-8-4-6-11-7-5-8/h8,13H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3
InChIKeyJIZDNFJLBITXDC-UHFFFAOYSA-N
XLogP4.51
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine?
The IUPAC name of N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine (CID 158930420) is N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine.
What is the SMILES notation for N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine?
The canonical SMILES for N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine is CC(C)(C)NC1CCC(F)(F)CC1.CC(C)(C)NC1CCOCC1.
What is the InChIKey of N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine?
The InChIKey is JIZDNFJLBITXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N.C9H19NO/c1-9(2,3)13-8-4-6-10(11,12)7-5-8;1-9(2,3)10-8-4-6-11-7-5-8/h8,13H,4-7H2,1-3H3;8,10H,4-7H2,1-3H3.
What are the key properties of N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine?
N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine has a molecular weight of 348.52 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-difluorocyclohexan-1-amine;N-tert-butyloxan-4-amine is sourced from PubChem (CID 158930420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).