(3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine

C16H22F2N2 — CID 135224098

IUPAC(3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine
SMILESC/C=C(\N=C(/C)[C@H](N)C(C)(C)C)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2/c1-6-14(12-9-11(17)7-8-13(12)18)20-10(2)15(19)16(3,4)5/h6-9,15H,19H2,1-5H3/b14-6-,20-10+/t15-/m0/s1
InChIKeyNTCBXLHYRCYIOP-RJANJZLSSA-N
MW280.36 g/mol
LogP4.16
Rot. Bonds3

About (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine

(3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine (PubChem CID 135224098) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound Name(3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine
PubChem CID135224098
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name(3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine
SMILESC/C=C(\N=C(/C)[C@H](N)C(C)(C)C)c1cc(F)ccc1F
InChIInChI=1S/C16H22F2N2/c1-6-14(12-9-11(17)7-8-13(12)18)20-10(2)15(19)16(3,4)5/h6-9,15H,19H2,1-5H3/b14-6-,20-10+/t15-/m0/s1
InChIKeyNTCBXLHYRCYIOP-RJANJZLSSA-N
XLogP4.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine?
The IUPAC name of (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine (CID 135224098) is (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine.
What is the SMILES notation for (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine?
The canonical SMILES for (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine is C/C=C(\N=C(/C)[C@H](N)C(C)(C)C)c1cc(F)ccc1F.
What is the InChIKey of (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine?
The InChIKey is NTCBXLHYRCYIOP-RJANJZLSSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-6-14(12-9-11(17)7-8-13(12)18)20-10(2)15(19)16(3,4)5/h6-9,15H,19H2,1-5H3/b14-6-,20-10+/t15-/m0/s1.
What are the key properties of (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine?
(3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine has a molecular weight of 280.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(Z)-1-(2,5-difluorophenyl)prop-1-enyl]imino-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 135224098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).