N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

C14H21F2N3O — CID 105178646

IUPACN-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1nccnc1OC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3O/c1-3-17-11(10-4-6-14(15,16)7-5-10)12-13(20-2)19-9-8-18-12/h8-11,17H,3-7H2,1-2H3
InChIKeyVVCJIUVIGLPWGC-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.96
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (PubChem CID 105178646) has the molecular formula C14H21F2N3O and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
PubChem CID105178646
Molecular FormulaC14H21F2N3O
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC NameN-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1nccnc1OC)C1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N3O/c1-3-17-11(10-4-6-14(15,16)7-5-10)12-13(20-2)19-9-8-18-12/h8-11,17H,3-7H2,1-2H3
InChIKeyVVCJIUVIGLPWGC-UHFFFAOYSA-N
XLogP2.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 44327555
CID 44327555
CID 44327973
CID 44327973
CID 44327974
CID 44327974
CID 170785055
CID 170785055
CID 103148360
CID 103148360
CID 103148577
CID 103148577
CID 103148740
CID 103148740
CID 103149316
CID 103149316
CID 103149654
CID 103149654
CID 103149941
CID 103149941
CID 103312254
CID 103312254
CID 103312255
CID 103312255

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (CID 105178646) is N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is CCNC(c1nccnc1OC)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The InChIKey is VVCJIUVIGLPWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3O/c1-3-17-11(10-4-6-14(15,16)7-5-10)12-13(20-2)19-9-8-18-12/h8-11,17H,3-7H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine has a molecular weight of 285.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 105178646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).